1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine

C29H58N2 — CID 22286886

IUPAC1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine
SMILESCCCCC1(CCCC)CCCCC1(N)CC1(N)CCCCC1(CCCC)CCCC
InChIInChI=1S/C29H58N2/c1-5-9-17-26(18-10-6-2)21-13-15-23-28(26,30)25-29(31)24-16-14-22-27(29,19-11-7-3)20-12-8-4/h5-25,30-31H2,1-4H3
InChIKeyRNIXJKRQBZROPT-UHFFFAOYSA-N
MW434.80 g/mol
LogP8.65
Rot. Bonds14

About 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine

1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine (PubChem CID 22286886) has the molecular formula C29H58N2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine
PubChem CID22286886
Molecular FormulaC29H58N2
Molecular Weight434.80 g/mol
Exact Mass434.46
IUPAC Name1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine
SMILESCCCCC1(CCCC)CCCCC1(N)CC1(N)CCCCC1(CCCC)CCCC
InChIInChI=1S/C29H58N2/c1-5-9-17-26(18-10-6-2)21-13-15-23-28(26,30)25-29(31)24-16-14-22-27(29,19-11-7-3)20-12-8-4/h5-25,30-31H2,1-4H3
InChIKeyRNIXJKRQBZROPT-UHFFFAOYSA-N
XLogP8.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine (CID 22286886) is 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine is CCCCC1(CCCC)CCCCC1(N)CC1(N)CCCCC1(CCCC)CCCC.
What is the InChIKey of 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine?
The InChIKey is RNIXJKRQBZROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2/c1-5-9-17-26(18-10-6-2)21-13-15-23-28(26,30)25-29(31)24-16-14-22-27(29,19-11-7-3)20-12-8-4/h5-25,30-31H2,1-4H3.
What are the key properties of 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine?
1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine has a molecular weight of 434.80 g/mol, XLogP of 8.65, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2,2-dibutylcyclohexyl)methyl]-2,2-dibutylcyclohexan-1-amine is sourced from PubChem (CID 22286886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).