4-ethenylhept-6-en-2-amine

C9H17N — CID 123657821

IUPAC4-ethenylhept-6-en-2-amine
SMILESC=CCC(C=C)CC(C)N
InChIInChI=1S/C9H17N/c1-4-6-9(5-2)7-8(3)10/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeyJTSSLNJLSKBXGC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.10
Rot. Bonds5

About 4-ethenylhept-6-en-2-amine

4-ethenylhept-6-en-2-amine (PubChem CID 123657821) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethenylhept-6-en-2-amine.

Molecular Properties

Compound Name4-ethenylhept-6-en-2-amine
PubChem CID123657821
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethenylhept-6-en-2-amine
SMILESC=CCC(C=C)CC(C)N
InChIInChI=1S/C9H17N/c1-4-6-9(5-2)7-8(3)10/h4-5,8-9H,1-2,6-7,10H2,3H3
InChIKeyJTSSLNJLSKBXGC-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylhept-6-en-2-amine?
The IUPAC name of 4-ethenylhept-6-en-2-amine (CID 123657821) is 4-ethenylhept-6-en-2-amine.
What is the SMILES notation for 4-ethenylhept-6-en-2-amine?
The canonical SMILES for 4-ethenylhept-6-en-2-amine is C=CCC(C=C)CC(C)N.
What is the InChIKey of 4-ethenylhept-6-en-2-amine?
The InChIKey is JTSSLNJLSKBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(5-2)7-8(3)10/h4-5,8-9H,1-2,6-7,10H2,3H3.
What are the key properties of 4-ethenylhept-6-en-2-amine?
4-ethenylhept-6-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylhept-6-en-2-amine is sourced from PubChem (CID 123657821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).