2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine

C12H25N — CID 64760776

IUPAC2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1(N)CC(C)CCC1C
InChIInChI=1S/C12H25N/c1-9(2)7-12(13)8-10(3)5-6-11(12)4/h9-11H,5-8,13H2,1-4H3
InChIKeySBQSIEIRLLREFI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds2

About 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine

2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 64760776) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
PubChem CID64760776
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1(N)CC(C)CCC1C
InChIInChI=1S/C12H25N/c1-9(2)7-12(13)8-10(3)5-6-11(12)4/h9-11H,5-8,13H2,1-4H3
InChIKeySBQSIEIRLLREFI-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine (CID 64760776) is 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1(N)CC(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is SBQSIEIRLLREFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)7-12(13)8-10(3)5-6-11(12)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine?
2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64760776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).