N-hexylcyclohexanamine

C12H25N — CID 4991888

IUPACN-hexylcyclohexanamine
SMILESCCCCCCNC1CCCCC1
InChIInChI=1S/C12H25N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12-13H,2-11H2,1H3
InChIKeySDGLZYZMEJGJDJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.49
Rot. Bonds6

About N-hexylcyclohexanamine

N-hexylcyclohexanamine (PubChem CID 4991888) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-hexylcyclohexanamine.

Molecular Properties

Compound NameN-hexylcyclohexanamine
PubChem CID4991888
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-hexylcyclohexanamine
SMILESCCCCCCNC1CCCCC1
InChIInChI=1S/C12H25N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12-13H,2-11H2,1H3
InChIKeySDGLZYZMEJGJDJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.49
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-hexylcyclohexanamine?
The IUPAC name of N-hexylcyclohexanamine (CID 4991888) is N-hexylcyclohexanamine.
What is the SMILES notation for N-hexylcyclohexanamine?
The canonical SMILES for N-hexylcyclohexanamine is CCCCCCNC1CCCCC1.
What is the InChIKey of N-hexylcyclohexanamine?
The InChIKey is SDGLZYZMEJGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12-13H,2-11H2,1H3.
What are the key properties of N-hexylcyclohexanamine?
N-hexylcyclohexanamine has a molecular weight of 183.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylcyclohexanamine is sourced from PubChem (CID 4991888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).