1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine

C25H50N2 — CID 22286679

IUPAC1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine
SMILESCCCC1(CCC)CCCCC1(N)CC1(N)CCCCC1(CCC)CCC
InChIInChI=1S/C25H50N2/c1-5-13-22(14-6-2)17-9-11-19-24(22,26)21-25(27)20-12-10-18-23(25,15-7-3)16-8-4/h5-21,26-27H2,1-4H3
InChIKeyQOYFHXPCMMIKIT-UHFFFAOYSA-N
MW378.69 g/mol
LogP7.09
Rot. Bonds10

About 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine

1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine (PubChem CID 22286679) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine
PubChem CID22286679
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine
SMILESCCCC1(CCC)CCCCC1(N)CC1(N)CCCCC1(CCC)CCC
InChIInChI=1S/C25H50N2/c1-5-13-22(14-6-2)17-9-11-19-24(22,26)21-25(27)20-12-10-18-23(25,15-7-3)16-8-4/h5-21,26-27H2,1-4H3
InChIKeyQOYFHXPCMMIKIT-UHFFFAOYSA-N
XLogP7.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 57.09
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-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine (CID 22286679) is 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine is CCCC1(CCC)CCCCC1(N)CC1(N)CCCCC1(CCC)CCC.
What is the InChIKey of 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine?
The InChIKey is QOYFHXPCMMIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-5-13-22(14-6-2)17-9-11-19-24(22,26)21-25(27)20-12-10-18-23(25,15-7-3)16-8-4/h5-21,26-27H2,1-4H3.
What are the key properties of 1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine?
1-[(1-amino-2,2-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine has a molecular weight of 378.69 g/mol, XLogP of 7.09, 10 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-dipropylcyclohexyl)methyl]-2,2-dipropylcyclohexan-1-amine is sourced from PubChem (CID 22286679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).