1-cyclohexyl-3-methylpentan-3-amine

C12H25N — CID 67766533

IUPAC1-cyclohexyl-3-methylpentan-3-amine
SMILESCCC(C)(N)CCC1CCCCC1
InChIInChI=1S/C12H25N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3
InChIKeyPZDIXGVPXOSHLU-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.47
Rot. Bonds4

About 1-cyclohexyl-3-methylpentan-3-amine

1-cyclohexyl-3-methylpentan-3-amine (PubChem CID 67766533) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylpentan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-methylpentan-3-amine
PubChem CID67766533
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclohexyl-3-methylpentan-3-amine
SMILESCCC(C)(N)CCC1CCCCC1
InChIInChI=1S/C12H25N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3
InChIKeyPZDIXGVPXOSHLU-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylpentan-3-amine?
The IUPAC name of 1-cyclohexyl-3-methylpentan-3-amine (CID 67766533) is 1-cyclohexyl-3-methylpentan-3-amine.
What is the SMILES notation for 1-cyclohexyl-3-methylpentan-3-amine?
The canonical SMILES for 1-cyclohexyl-3-methylpentan-3-amine is CCC(C)(N)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylpentan-3-amine?
The InChIKey is PZDIXGVPXOSHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-methylpentan-3-amine?
1-cyclohexyl-3-methylpentan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylpentan-3-amine is sourced from PubChem (CID 67766533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).