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

C25H50N2 — CID 68741612

IUPAC2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
SMILESCCCC1(N)CCCCC1(CCC)CC1(CCC)CCCCC1(N)CCC
InChIInChI=1S/C25H50N2/c1-5-13-22(17-9-11-19-24(22,26)15-7-3)21-23(14-6-2)18-10-12-20-25(23,27)16-8-4/h5-21,26-27H2,1-4H3
InChIKeyHZFSBQBVAVPUFD-UHFFFAOYSA-N
MW378.69 g/mol
LogP7.09
Rot. Bonds10

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

2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine (PubChem CID 68741612) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
PubChem CID68741612
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
SMILESCCCC1(N)CCCCC1(CCC)CC1(CCC)CCCCC1(N)CCC
InChIInChI=1S/C25H50N2/c1-5-13-22(17-9-11-19-24(22,26)15-7-3)21-23(14-6-2)18-10-12-20-25(23,27)16-8-4/h5-21,26-27H2,1-4H3
InChIKeyHZFSBQBVAVPUFD-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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Related Compounds

1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
CID 68738336
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
CID 68739353
2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
CID 68739117
azane;1-propylcyclopentan-1-amine
CID 118268242
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1-butylcyclohexan-1-amine
CID 13182498
1-ethoxy-1-propylcyclohexane
CID 154221474
N-ethyl-1-propylcyclohexan-1-amine
CID 581031
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-hexyl-2,2-dimethylcyclopentan-1-amine
CID 79857458

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine?
The IUPAC name of 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine (CID 68741612) is 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine is CCCC1(N)CCCCC1(CCC)CC1(CCC)CCCCC1(N)CCC.
What is the InChIKey of 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine?
The InChIKey is HZFSBQBVAVPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2/c1-5-13-22(17-9-11-19-24(22,26)15-7-3)21-23(14-6-2)18-10-12-20-25(23,27)16-8-4/h5-21,26-27H2,1-4H3.
What are the key properties of 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine?
2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-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 2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine is sourced from PubChem (CID 68741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).