4-cyclohexylpent-1-yn-3-amine

C11H19N — CID 18402497

IUPAC4-cyclohexylpent-1-yn-3-amine
SMILESC#CC(N)C(C)C1CCCCC1
InChIInChI=1S/C11H19N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h1,9-11H,4-8,12H2,2H3
InChIKeyDCRMJTIBEKRJTH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.16
Rot. Bonds2

About 4-cyclohexylpent-1-yn-3-amine

4-cyclohexylpent-1-yn-3-amine (PubChem CID 18402497) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-cyclohexylpent-1-yn-3-amine.

Molecular Properties

Compound Name4-cyclohexylpent-1-yn-3-amine
PubChem CID18402497
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-cyclohexylpent-1-yn-3-amine
SMILESC#CC(N)C(C)C1CCCCC1
InChIInChI=1S/C11H19N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h1,9-11H,4-8,12H2,2H3
InChIKeyDCRMJTIBEKRJTH-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpent-1-yn-3-amine?
The IUPAC name of 4-cyclohexylpent-1-yn-3-amine (CID 18402497) is 4-cyclohexylpent-1-yn-3-amine.
What is the SMILES notation for 4-cyclohexylpent-1-yn-3-amine?
The canonical SMILES for 4-cyclohexylpent-1-yn-3-amine is C#CC(N)C(C)C1CCCCC1.
What is the InChIKey of 4-cyclohexylpent-1-yn-3-amine?
The InChIKey is DCRMJTIBEKRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h1,9-11H,4-8,12H2,2H3.
What are the key properties of 4-cyclohexylpent-1-yn-3-amine?
4-cyclohexylpent-1-yn-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpent-1-yn-3-amine is sourced from PubChem (CID 18402497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).