1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine

C14H25N — CID 65393747

IUPAC1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-4-6-7-14(15-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3
InChIKeyRVGGYQHYTAPDJJ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine

1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine (PubChem CID 65393747) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
PubChem CID65393747
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)C1CCC(CC)CC1
InChIInChI=1S/C14H25N/c1-4-6-7-14(15-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3
InChIKeyRVGGYQHYTAPDJJ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
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-propylpent-4-yn-1-amine
CID 65395607
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392907
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
1-(4-ethylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103035720
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine (CID 65393747) is 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine is C#CCCC(NC)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine?
The InChIKey is RVGGYQHYTAPDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-7-14(15-3)13-10-8-12(5-2)9-11-13/h1,12-15H,5-11H2,2-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine?
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 65393747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).