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

C34H51N7 — CID 23649146

IUPAC1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine
SMILESCC(C)Cn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C34H51N7/c1-28(2)22-41-21-17-37-33(41)26-39(25-32-35-15-16-36-32)24-30-10-8-29(9-11-30)23-38-18-12-34(27-38)13-19-40(20-14-34)31-6-4-3-5-7-31/h8-11,15-17,21,28,31H,3-7,12-14,18-20,22-27H2,1-2H3,(H,35,36)
InChIKeyMOTMGXASELRZOP-UHFFFAOYSA-N
MW557.83 g/mol
LogP6.09
Rot. Bonds11

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

1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine (PubChem CID 23649146) has the molecular formula C34H51N7 and a molecular weight of 557.83 g/mol. Its IUPAC name is 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine
PubChem CID23649146
Molecular FormulaC34H51N7
Molecular Weight557.83 g/mol
Exact Mass557.42
IUPAC Name1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine
SMILESCC(C)Cn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C34H51N7/c1-28(2)22-41-21-17-37-33(41)26-39(25-32-35-15-16-36-32)24-30-10-8-29(9-11-30)23-38-18-12-34(27-38)13-19-40(20-14-34)31-6-4-3-5-7-31/h8-11,15-17,21,28,31H,3-7,12-14,18-20,22-27H2,1-2H3,(H,35,36)
InChIKeyMOTMGXASELRZOP-UHFFFAOYSA-N
XLogP6.09
TPSA56.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.83
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine (CID 23649146) is 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine is CC(C)Cn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1.
What is the InChIKey of 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine?
The InChIKey is MOTMGXASELRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N7/c1-28(2)22-41-21-17-37-33(41)26-39(25-32-35-15-16-36-32)24-30-10-8-29(9-11-30)23-38-18-12-34(27-38)13-19-40(20-14-34)31-6-4-3-5-7-31/h8-11,15-17,21,28,31H,3-7,12-14,18-20,22-27H2,1-2H3,(H,35,36).
What are the key properties of 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine?
1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine has a molecular weight of 557.83 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 23649146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).