1-cyclohexyl-N-methylpent-4-yn-1-amine

C12H21N — CID 63657872

IUPAC1-cyclohexyl-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C1CCCCC1
InChIInChI=1S/C12H21N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h1,11-13H,4-10H2,2H3
InChIKeyIOUZEQXGOMNIPD-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclohexyl-N-methylpent-4-yn-1-amine

1-cyclohexyl-N-methylpent-4-yn-1-amine (PubChem CID 63657872) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methylpent-4-yn-1-amine
PubChem CID63657872
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclohexyl-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C1CCCCC1
InChIInChI=1S/C12H21N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h1,11-13H,4-10H2,2H3
InChIKeyIOUZEQXGOMNIPD-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-cyclooctylpent-4-yn-1-amine
CID 80603767
1-cyclohexyl-1-ethoxy-N-methylhex-5-yn-2-amine
CID 116772242
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347
1-cyclohexylpent-4-yn-1-ol
CID 63657295
1-(1,1-dioxothian-2-yl)-N-methylpent-4-yn-1-amine
CID 115859440
1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
3-cyclopentyl-3-(methylamino)propane-1-thiol
CID 116831478
1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
CID 115346257

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methylpent-4-yn-1-amine?
The IUPAC name of 1-cyclohexyl-N-methylpent-4-yn-1-amine (CID 63657872) is 1-cyclohexyl-N-methylpent-4-yn-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-methylpent-4-yn-1-amine?
The canonical SMILES for 1-cyclohexyl-N-methylpent-4-yn-1-amine is C#CCCC(NC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methylpent-4-yn-1-amine?
The InChIKey is IOUZEQXGOMNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h1,11-13H,4-10H2,2H3.
What are the key properties of 1-cyclohexyl-N-methylpent-4-yn-1-amine?
1-cyclohexyl-N-methylpent-4-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 63657872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).