1-cyclobutylhex-4-yn-1-amine

C10H17N — CID 104805819

IUPAC1-cyclobutylhex-4-yn-1-amine
SMILESCC#CCCC(N)C1CCC1
InChIInChI=1S/C10H17N/c1-2-3-4-8-10(11)9-6-5-7-9/h9-10H,4-8,11H2,1H3
InChIKeyUWXNLNWJSUARNX-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.92
Rot. Bonds3

About 1-cyclobutylhex-4-yn-1-amine

1-cyclobutylhex-4-yn-1-amine (PubChem CID 104805819) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-cyclobutylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-cyclobutylhex-4-yn-1-amine
PubChem CID104805819
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-cyclobutylhex-4-yn-1-amine
SMILESCC#CCCC(N)C1CCC1
InChIInChI=1S/C10H17N/c1-2-3-4-8-10(11)9-6-5-7-9/h9-10H,4-8,11H2,1H3
InChIKeyUWXNLNWJSUARNX-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.92
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-cyclopropyloct-6-yn-1-amine
CID 104811930
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
1-cyclopropyl-1-methoxyhept-5-yn-2-amine
CID 116721827
1-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
CID 107190869
azane;1-cyclobutylbutan-1-amine;dihydrate
CID 140660348
4-amino-4-cyclopentylbutanenitrile
CID 116940090
1-cyclooctylpent-4-yn-1-amine
CID 80603767
1-(6-bicyclo[3.1.0]hexanyl)hex-4-ynylhydrazine
CID 105335051
1-cyclobutylnonan-1-amine
CID 64986616
1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylhex-4-yn-1-amine?
The IUPAC name of 1-cyclobutylhex-4-yn-1-amine (CID 104805819) is 1-cyclobutylhex-4-yn-1-amine.
What is the SMILES notation for 1-cyclobutylhex-4-yn-1-amine?
The canonical SMILES for 1-cyclobutylhex-4-yn-1-amine is CC#CCCC(N)C1CCC1.
What is the InChIKey of 1-cyclobutylhex-4-yn-1-amine?
The InChIKey is UWXNLNWJSUARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-8-10(11)9-6-5-7-9/h9-10H,4-8,11H2,1H3.
What are the key properties of 1-cyclobutylhex-4-yn-1-amine?
1-cyclobutylhex-4-yn-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylhex-4-yn-1-amine is sourced from PubChem (CID 104805819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).