N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine

C12H25N — CID 64738448

IUPACN-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C)C(C)C1
InChIInChI=1S/C12H25N/c1-4-7-13-9-12-6-5-10(2)11(3)8-12/h10-13H,4-9H2,1-3H3
InChIKeyZPTPPVVIHHDXSR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 64738448) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine
PubChem CID64738448
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1CCC(C)C(C)C1
InChIInChI=1S/C12H25N/c1-4-7-13-9-12-6-5-10(2)11(3)8-12/h10-13H,4-9H2,1-3H3
InChIKeyZPTPPVVIHHDXSR-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine (CID 64738448) is N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine is CCCNCC1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is ZPTPPVVIHHDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-13-9-12-6-5-10(2)11(3)8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 64738448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).