N-ethenylhept-6-en-1-amine

C9H17N — CID 145124117

IUPACN-ethenylhept-6-en-1-amine
SMILESC=CCCCCCNC=C
InChIInChI=1S/C9H17N/c1-3-5-6-7-8-9-10-4-2/h3-4,10H,1-2,5-9H2
InChIKeyUBUKKWZPCCQWQZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds7

About N-ethenylhept-6-en-1-amine

N-ethenylhept-6-en-1-amine (PubChem CID 145124117) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethenylhept-6-en-1-amine.

Molecular Properties

Compound NameN-ethenylhept-6-en-1-amine
PubChem CID145124117
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethenylhept-6-en-1-amine
SMILESC=CCCCCCNC=C
InChIInChI=1S/C9H17N/c1-3-5-6-7-8-9-10-4-2/h3-4,10H,1-2,5-9H2
InChIKeyUBUKKWZPCCQWQZ-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethenylpent-4-en-1-amine
CID 142515999
N-ethenylocta-6,7-dien-1-amine
CID 146284054
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
N-ethenyltetradecan-1-amine
CID 175788828
N-ethenylpentan-1-amine
CID 87131661
N'-hept-6-enylethane-1,2-diamine
CID 107006766
4-dimethylsilyl-N-ethenylbutan-1-amine
CID 154083369
tridec-12-enal
CID 57284057
henicos-20-enal
CID 14559831
hexadec-15-enylsilane
CID 123559639
N-pent-4-enyloctan-1-amine
CID 79006791

Frequently Asked Questions

What is the IUPAC name of N-ethenylhept-6-en-1-amine?
The IUPAC name of N-ethenylhept-6-en-1-amine (CID 145124117) is N-ethenylhept-6-en-1-amine.
What is the SMILES notation for N-ethenylhept-6-en-1-amine?
The canonical SMILES for N-ethenylhept-6-en-1-amine is C=CCCCCCNC=C.
What is the InChIKey of N-ethenylhept-6-en-1-amine?
The InChIKey is UBUKKWZPCCQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-6-7-8-9-10-4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of N-ethenylhept-6-en-1-amine?
N-ethenylhept-6-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylhept-6-en-1-amine is sourced from PubChem (CID 145124117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).