1-cyclohexyl-N-ethylpent-4-yn-2-amine

C13H23N — CID 114977293

IUPAC1-cyclohexyl-N-ethylpent-4-yn-2-amine
SMILESC#CCC(CC1CCCCC1)NCC
InChIInChI=1S/C13H23N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h1,12-14H,4-11H2,2H3
InChIKeyQSFQUDHXCPQXBK-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclohexyl-N-ethylpent-4-yn-2-amine

1-cyclohexyl-N-ethylpent-4-yn-2-amine (PubChem CID 114977293) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethylpent-4-yn-2-amine
PubChem CID114977293
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclohexyl-N-ethylpent-4-yn-2-amine
SMILESC#CCC(CC1CCCCC1)NCC
InChIInChI=1S/C13H23N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h1,12-14H,4-11H2,2H3
InChIKeyQSFQUDHXCPQXBK-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
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-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclopentylpent-4-yn-2-ylhydrazine
CID 105281539
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
N-ethylhex-5-yn-3-amine
CID 62233887
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
4-cyclopentyl-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346595

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethylpent-4-yn-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethylpent-4-yn-2-amine (CID 114977293) is 1-cyclohexyl-N-ethylpent-4-yn-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethylpent-4-yn-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethylpent-4-yn-2-amine is C#CCC(CC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexyl-N-ethylpent-4-yn-2-amine?
The InChIKey is QSFQUDHXCPQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h1,12-14H,4-11H2,2H3.
What are the key properties of 1-cyclohexyl-N-ethylpent-4-yn-2-amine?
1-cyclohexyl-N-ethylpent-4-yn-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethylpent-4-yn-2-amine is sourced from PubChem (CID 114977293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).