1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine

C17H34N2 — CID 19938543

IUPAC1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(CC2(N)CC(C)CCC2C)C1
InChIInChI=1S/C17H34N2/c1-12-5-7-14(3)16(18,9-12)11-17(19)10-13(2)6-8-15(17)4/h12-15H,5-11,18-19H2,1-4H3
InChIKeyDORHRRCNFUFKBW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.68
Rot. Bonds2

About 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 19938543) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID19938543
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(CC2(N)CC(C)CCC2C)C1
InChIInChI=1S/C17H34N2/c1-12-5-7-14(3)16(18,9-12)11-17(19)10-13(2)6-8-15(17)4/h12-15H,5-11,18-19H2,1-4H3
InChIKeyDORHRRCNFUFKBW-UHFFFAOYSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 19938543) is 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(CC2(N)CC(C)CCC2C)C1.
What is the InChIKey of 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is DORHRRCNFUFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12-5-7-14(3)16(18,9-12)11-17(19)10-13(2)6-8-15(17)4/h12-15H,5-11,18-19H2,1-4H3.
What are the key properties of 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2,5-dimethylcyclohexyl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 19938543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).