3-prop-2-ynylidenecyclohexan-1-amine

C9H13N — CID 79880032

IUPAC3-prop-2-ynylidenecyclohexan-1-amine
SMILESC#CC=C1CCCC(N)C1
InChIInChI=1S/C9H13N/c1-2-4-8-5-3-6-9(10)7-8/h1,4,9H,3,5-7,10H2
InChIKeyJCBJNEUDIUXRRK-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.45
Rot. Bonds

About 3-prop-2-ynylidenecyclohexan-1-amine

3-prop-2-ynylidenecyclohexan-1-amine (PubChem CID 79880032) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-prop-2-ynylidenecyclohexan-1-amine.

Molecular Properties

Compound Name3-prop-2-ynylidenecyclohexan-1-amine
PubChem CID79880032
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-prop-2-ynylidenecyclohexan-1-amine
SMILESC#CC=C1CCCC(N)C1
InChIInChI=1S/C9H13N/c1-2-4-8-5-3-6-9(10)7-8/h1,4,9H,3,5-7,10H2
InChIKeyJCBJNEUDIUXRRK-UHFFFAOYSA-N
XLogP1.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.45
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

(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 116525441
3-aminocyclohexane-1-thione
CID 156588220
3-methylidenecyclohexan-1-amine
CID 67574918
3-(cyclopentylmethylidene)cyclopentan-1-amine
CID 79880753
(3Z)-3-[(5-bromo-2-pyridinyl)methylidene]cyclohexan-1-amine
CID 104813685
3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
CID 79879094
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 79880458
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
3-propylidenecyclopentan-1-amine
CID 79876230
(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 134081388
3-(3,4-dimethylcyclohexylidene)cyclohexan-1-amine
CID 79879726
(3-methylcyclohexylidene)methanamine
CID 67680642

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynylidenecyclohexan-1-amine?
The IUPAC name of 3-prop-2-ynylidenecyclohexan-1-amine (CID 79880032) is 3-prop-2-ynylidenecyclohexan-1-amine.
What is the SMILES notation for 3-prop-2-ynylidenecyclohexan-1-amine?
The canonical SMILES for 3-prop-2-ynylidenecyclohexan-1-amine is C#CC=C1CCCC(N)C1.
What is the InChIKey of 3-prop-2-ynylidenecyclohexan-1-amine?
The InChIKey is JCBJNEUDIUXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-4-8-5-3-6-9(10)7-8/h1,4,9H,3,5-7,10H2.
What are the key properties of 3-prop-2-ynylidenecyclohexan-1-amine?
3-prop-2-ynylidenecyclohexan-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynylidenecyclohexan-1-amine is sourced from PubChem (CID 79880032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).