N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane

C₉₁H₁₀₉F₉N₁₈ — CID 159575165

About N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane

N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane (PubChem CID 159575165) has the molecular formula C₉₁H₁₀₉F₉N₁₈ and a molecular weight of 1625.98 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane.

Molecular Properties

• Compound Name: N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane
• PubChem CID: 159575165
• Molecular Formula: C₉₁H₁₀₉F₉N₁₈
• Molecular Weight: 1625.98 g/mol
• Exact Mass: 1624.89
• IUPAC Name: N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane
• SMILES: C.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(CC#N)Cc1cc(C)cc(C(F)(F)F)c1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)Cc1nnnn1C.CCc1cccc2cc(CN(Cc3cc(C)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc12
• InChI: InChI=1S/C31H36F3N7.C30H36F3N7.C29H33F3N4.CH4/c1-4-24-6-5-7-25-15-26(29(35-28(24)25)40(16-21-8-9-21)17-22-10-11-22)19-41(30-36-38-39(3)37-30)18-23-12-20(2)13-27(14-23)31(32,33)34;1-4-40(18-22-9-5-6-10-22)29-25(16-24-11-7-8-12-27(24)34-29)19-39(20-28-35-36-37-38(28)3)17-23-13-21(2)14-26(15-23)30(31,32)33;1-3-36(19-22-8-4-5-9-22)28-25(17-24-10-6-7-11-27(24)34-28)20-35(13-12-33)18-23-14-21(2)15-26(16-23)29(30,31)32;/h5-7,12-15,21-22H,4,8-11,16-19H2,1-3H3;7-8,11-16,22H,4-6,9-10,17-20H2,1-3H3;6-7,10-11,14-17,22H,3-5,8-9,13,18-20H2,1-2H3;1H4
• InChIKey: MIHSEDVNXIFIPO-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 169.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.98
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane?

The IUPAC name of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane (CID 159575165) is N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane.

What is the SMILES notation for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane?

The canonical SMILES for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane is C.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(CC#N)Cc1cc(C)cc(C(F)(F)F)c1.CCN(CC1CCCC1)c1nc2ccccc2cc1CN(Cc1cc(C)cc(C(F)(F)F)c1)Cc1nnnn1C.CCc1cccc2cc(CN(Cc3cc(C)cc(C(F)(F)F)c3)c3nnn(C)n3)c(N(CC3CC3)CC3CC3)nc12.

What is the InChIKey of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane?

The InChIKey is MIHSEDVNXIFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7.C30H36F3N7.C29H33F3N4.CH4/c1-4-24-6-5-7-25-15-26(29(35-28(24)25)40(16-21-8-9-21)17-22-10-11-22)19-41(30-36-38-39(3)37-30)18-23-12-20(2)13-27(14-23)31(32,33)34;1-4-40(18-22-9-5-6-10-22)29-25(16-24-11-7-8-12-27(24)34-29)19-39(20-28-35-36-37-38(28)3)17-23-13-21(2)14-26(15-23)30(31,32)33;1-3-36(19-22-8-4-5-9-22)28-25(17-24-10-6-7-11-27(24)34-28)20-35(13-12-33)18-23-14-21(2)15-26(16-23)29(30,31)32;/h5-7,12-15,21-22H,4,8-11,16-19H2,1-3H3;7-8,11-16,22H,4-6,9-10,17-20H2,1-3H3;6-7,10-11,14-17,22H,3-5,8-9,13,18-20H2,1-2H3;1H4.

What are the key properties of N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane?

N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane has a molecular weight of 1625.98 g/mol, XLogP of 20.53, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(cyclopropylmethyl)-8-ethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;2-[[2-[cyclopentylmethyl(ethyl)amino]quinolin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]acetonitrile;N-(cyclopentylmethyl)-N-ethyl-3-[[(1-methyltetrazol-5-yl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-2-amine;methane is sourced from PubChem (CID 159575165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159575165 — identifiers, structure, computed properties (public domain)

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