1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine

C23H46N2 — CID 68738336

IUPAC1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
SMILESCCCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CCC
InChIInChI=1S/C23H46N2/c1-5-13-20(7-3)15-9-11-17-22(20,24)19-23(25)18-12-10-16-21(23,8-4)14-6-2/h5-19,24-25H2,1-4H3
InChIKeyKCLWYWRXASAAJG-UHFFFAOYSA-N
MW350.64 g/mol
LogP6.31
Rot. Bonds8

About 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine

1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine (PubChem CID 68738336) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
PubChem CID68738336
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine
SMILESCCCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CCC
InChIInChI=1S/C23H46N2/c1-5-13-20(7-3)15-9-11-17-22(20,24)19-23(25)18-12-10-16-21(23,8-4)14-6-2/h5-19,24-25H2,1-4H3
InChIKeyKCLWYWRXASAAJG-UHFFFAOYSA-N
XLogP6.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-1,2-dipropylcyclohexyl)methyl]-1,2-dipropylcyclohexan-1-amine
CID 68741612
2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
CID 68739353
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
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
(2,2-diethyl-1-phosphanylcyclohexyl)phosphane
CID 174700066
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1,2,2-triethylcyclohexane-1-carboxylic acid
CID 118982103
2,2-dimethyl-1-(2-methylpentyl)cyclohexan-1-amine
CID 79835898
1-butylcyclohexan-1-amine
CID 13182498

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine (CID 68738336) is 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine is CCCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CCC.
What is the InChIKey of 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine?
The InChIKey is KCLWYWRXASAAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-5-13-20(7-3)15-9-11-17-22(20,24)19-23(25)18-12-10-16-21(23,8-4)14-6-2/h5-19,24-25H2,1-4H3.
What are the key properties of 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine?
1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine has a molecular weight of 350.64 g/mol, XLogP of 6.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-ethyl-2-propylcyclohexyl)methyl]-2-ethyl-2-propylcyclohexan-1-amine is sourced from PubChem (CID 68738336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).