1-cyclooctylpent-4-yn-1-amine

C13H23N — CID 80603767

IUPAC1-cyclooctylpent-4-yn-1-amine
SMILESC#CCCC(N)C1CCCCCCC1
InChIInChI=1S/C13H23N/c1-2-3-11-13(14)12-9-7-5-4-6-8-10-12/h1,12-13H,3-11,14H2
InChIKeyNULLWLVJLKZQBX-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.09
Rot. Bonds3

About 1-cyclooctylpent-4-yn-1-amine

1-cyclooctylpent-4-yn-1-amine (PubChem CID 80603767) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclooctylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-cyclooctylpent-4-yn-1-amine
PubChem CID80603767
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclooctylpent-4-yn-1-amine
SMILESC#CCCC(N)C1CCCCCCC1
InChIInChI=1S/C13H23N/c1-2-3-11-13(14)12-9-7-5-4-6-8-10-12/h1,12-13H,3-11,14H2
InChIKeyNULLWLVJLKZQBX-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.09
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-(3-methylcyclohexyl)pent-4-yn-1-amine
CID 63655886
1-cyclohexylpent-4-yn-1-ol
CID 63657295
4-amino-4-cyclopentylbutanenitrile
CID 116940090
1-cyclopentylpent-4-yn-1-ol
CID 63657478
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
1-cycloheptylhept-6-yn-2-amine
CID 105034110
1-cyclohexyl-4,4,4-trifluorobutan-1-amine
CID 64565147
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
1-cyclobutylhex-4-yn-1-amine
CID 104805819
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylpent-4-yn-1-amine?
The IUPAC name of 1-cyclooctylpent-4-yn-1-amine (CID 80603767) is 1-cyclooctylpent-4-yn-1-amine.
What is the SMILES notation for 1-cyclooctylpent-4-yn-1-amine?
The canonical SMILES for 1-cyclooctylpent-4-yn-1-amine is C#CCCC(N)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctylpent-4-yn-1-amine?
The InChIKey is NULLWLVJLKZQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-11-13(14)12-9-7-5-4-6-8-10-12/h1,12-13H,3-11,14H2.
What are the key properties of 1-cyclooctylpent-4-yn-1-amine?
1-cyclooctylpent-4-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylpent-4-yn-1-amine is sourced from PubChem (CID 80603767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).