N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine

C83H148N12O5 — CID 159972433

About N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine

N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 159972433) has the molecular formula C83H148N12O5 and a molecular weight of 1394.18 g/mol. Its IUPAC name is N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine
• PubChem CID: 159972433
• Molecular Formula: C83H148N12O5
• Molecular Weight: 1394.18 g/mol
• Exact Mass: 1393.17
• IUPAC Name: N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine
• SMILES: CCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.CCCCN(C)Cc1ccnn1C1CCC2(CCCC2)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](OCC2CCOCC2)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](OCCCOC)C1
• InChI: InChI=1S/C23H41N3O2.C21H39N3O2.C20H35N3O.C19H33N3/c1-5-6-11-26(4)16-20-15-24-25-22(20)19-7-10-23(2,3)21(14-19)28-17-18-8-12-27-13-9-18;1-6-7-11-24(4)16-18-15-22-23-20(18)17-9-10-21(2,3)19(14-17)26-13-8-12-25-5;1-5-6-13-22(4)14-18-9-12-21-23(18)17-7-10-20(11-8-17)15-19(2,3)16-24-20;1-3-4-15-21(2)16-18-9-14-20-22(18)17-7-12-19(13-8-17)10-5-6-11-19/h15,18-19,21H,5-14,16-17H2,1-4H3,(H,24,25);15,17,19H,6-14,16H2,1-5H3,(H,22,23);9,12,17H,5-8,10-11,13-16H2,1-4H3;9,14,17H,3-8,10-13,15-16H2,1-2H3/t19?,21-;17?,19-;;/m11../s1
• InChIKey: OESKGZYWPDDKRP-NZSJWSLFSA-N
• XLogP: 18.31
• TPSA: 152.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.18
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine?

The IUPAC name of N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine (CID 159972433) is N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine?

The canonical SMILES for N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine is CCCCN(C)Cc1ccnn1C1CCC2(CC1)CC(C)(C)CO2.CCCCN(C)Cc1ccnn1C1CCC2(CCCC2)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](OCC2CCOCC2)C1.CCCCN(C)Cc1cn[nH]c1C1CCC(C)(C)[C@H](OCCCOC)C1.

What is the InChIKey of N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine?

The InChIKey is OESKGZYWPDDKRP-NZSJWSLFSA-N. The full InChI is InChI=1S/C23H41N3O2.C21H39N3O2.C20H35N3O.C19H33N3/c1-5-6-11-26(4)16-20-15-24-25-22(20)19-7-10-23(2,3)21(14-19)28-17-18-8-12-27-13-9-18;1-6-7-11-24(4)16-18-15-22-23-20(18)17-9-10-21(2,3)19(14-17)26-13-8-12-25-5;1-5-6-13-22(4)14-18-9-12-21-23(18)17-7-10-20(11-8-17)15-19(2,3)16-24-20;1-3-4-15-21(2)16-18-9-14-20-22(18)17-7-12-19(13-8-17)10-5-6-11-19/h15,18-19,21H,5-14,16-17H2,1-4H3,(H,24,25);15,17,19H,6-14,16H2,1-5H3,(H,22,23);9,12,17H,5-8,10-11,13-16H2,1-4H3;9,14,17H,3-8,10-13,15-16H2,1-2H3/t19?,21-;17?,19-;;/m11../s1.

What are the key properties of N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine?

N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 1394.18 g/mol, XLogP of 18.31, 32 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 159972433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).