5-ethenyl-2-methylazepane

C9H17N — CID 66742742

IUPAC5-ethenyl-2-methylazepane
SMILESC=CC1CCNC(C)CC1
InChIInChI=1S/C9H17N/c1-3-9-5-4-8(2)10-7-6-9/h3,8-10H,1,4-7H2,2H3
InChIKeyPRCHRRBYRYQKAI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

About 5-ethenyl-2-methylazepane

5-ethenyl-2-methylazepane (PubChem CID 66742742) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-ethenyl-2-methylazepane.

Molecular Properties

Compound Name5-ethenyl-2-methylazepane
PubChem CID66742742
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-ethenyl-2-methylazepane
SMILESC=CC1CCNC(C)CC1
InChIInChI=1S/C9H17N/c1-3-9-5-4-8(2)10-7-6-9/h3,8-10H,1,4-7H2,2H3
InChIKeyPRCHRRBYRYQKAI-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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6-methyl-N-prop-2-enylhept-1-en-4-amine
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2,2-Bis(prop-2-enyl)azepane
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2-Allyl-2-methylazepane
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(2S,3R,7S)-7-ethyl-3-methyl-2-prop-2-enylazecane
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N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-amine
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N-(2-methylpropyl)-2-prop-2-enylcyclopentan-1-amine
CID 85614648
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
4-Fluoro-4-prop-2-enylazepane
CID 103983815
4-ethyl-2-methyl-N-propylhex-5-en-3-amine
CID 170847793
N-ethyl-2-methylhept-6-en-1-amine
CID 17825107
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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylazepane?
The IUPAC name of 5-ethenyl-2-methylazepane (CID 66742742) is 5-ethenyl-2-methylazepane.
What is the SMILES notation for 5-ethenyl-2-methylazepane?
The canonical SMILES for 5-ethenyl-2-methylazepane is C=CC1CCNC(C)CC1.
What is the InChIKey of 5-ethenyl-2-methylazepane?
The InChIKey is PRCHRRBYRYQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9-5-4-8(2)10-7-6-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 5-ethenyl-2-methylazepane?
5-ethenyl-2-methylazepane has a molecular weight of 139.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylazepane is sourced from PubChem (CID 66742742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).