N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride

C29H35ClF6N6 — CID 10326497

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride (PubChem CID 10326497) has the molecular formula C29H35ClF6N6 and a molecular weight of 617.08 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride
• PubChem CID: 10326497
• Molecular Formula: C29H35ClF6N6
• Molecular Weight: 617.08 g/mol
• Exact Mass: 616.25
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCC2.Cl
• InChI: InChI=1S/C29H34F6N6.ClH/c1-3-40(16-19-7-4-5-8-19)26-14-22-10-6-9-21(22)13-23(26)18-41(27-36-38-39(2)37-27)17-20-11-24(28(30,31)32)15-25(12-20)29(33,34)35;/h11-15,19H,3-10,16-18H2,1-2H3;1H
• InChIKey: WTNJFIGGHBNSAD-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.08
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride (CID 10326497) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCC2.Cl.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride?

The InChIKey is WTNJFIGGHBNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F6N6.ClH/c1-3-40(16-19-7-4-5-8-19)26-14-22-10-6-9-21(22)13-23(26)18-41(27-36-38-39(2)37-27)17-20-11-24(28(30,31)32)15-25(12-20)29(33,34)35;/h11-15,19H,3-10,16-18H2,1-2H3;1H.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride has a molecular weight of 617.08 g/mol, XLogP of 7.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-2-methyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 10326497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).