N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine

C33H45N5 — CID 67501761

About N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine

N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine (PubChem CID 67501761) has the molecular formula C33H45N5 and a molecular weight of 511.76 g/mol. Its IUPAC name is N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine
• PubChem CID: 67501761
• Molecular Formula: C33H45N5
• Molecular Weight: 511.76 g/mol
• Exact Mass: 511.37
• IUPAC Name: N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine
• SMILES: c1ccc(CN(Cc2ccc(CN3CCC4(CCN(C5CCCCC5)CC4)C3)cc2)Cc2ncc[nH]2)cc1
• InChI: InChI=1S/C33H45N5/c1-3-7-28(8-4-1)24-37(26-32-34-18-19-35-32)25-30-13-11-29(12-14-30)23-36-20-15-33(27-36)16-21-38(22-17-33)31-9-5-2-6-10-31/h1,3-4,7-8,11-14,18-19,31H,2,5-6,9-10,15-17,20-27H2,(H,34,35)
• InChIKey: HCJZENGIIRGAOU-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 38.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.76
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine?

The IUPAC name of N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine (CID 67501761) is N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine.

What is the SMILES notation for N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine?

The canonical SMILES for N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine is c1ccc(CN(Cc2ccc(CN3CCC4(CCN(C5CCCCC5)CC4)C3)cc2)Cc2ncc[nH]2)cc1.

What is the InChIKey of N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine?

The InChIKey is HCJZENGIIRGAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5/c1-3-7-28(8-4-1)24-37(26-32-34-18-19-35-32)25-30-13-11-29(12-14-30)23-36-20-15-33(27-36)16-21-38(22-17-33)31-9-5-2-6-10-31/h1,3-4,7-8,11-14,18-19,31H,2,5-6,9-10,15-17,20-27H2,(H,34,35).

What are the key properties of N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine?

N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 511.76 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 67501761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).