(Z)-2-ethenylpent-1-en-1-amine

C7H13N — CID 177188955

IUPAC(Z)-2-ethenylpent-1-en-1-amine
SMILESC=C/C(=C\N)CCC
InChIInChI=1S/C7H13N/c1-3-5-7(4-2)6-8/h4,6H,2-3,5,8H2,1H3/b7-6+
InChIKeyPEVOGPCLDVBCRW-VOTSOKGWSA-N
MW111.19 g/mol
LogP1.82
Rot. Bonds3

About (Z)-2-ethenylpent-1-en-1-amine

(Z)-2-ethenylpent-1-en-1-amine (PubChem CID 177188955) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (Z)-2-ethenylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethenylpent-1-en-1-amine
PubChem CID177188955
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(Z)-2-ethenylpent-1-en-1-amine
SMILESC=C/C(=C\N)CCC
InChIInChI=1S/C7H13N/c1-3-5-7(4-2)6-8/h4,6H,2-3,5,8H2,1H3/b7-6+
InChIKeyPEVOGPCLDVBCRW-VOTSOKGWSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylpent-1-en-1-amine?
The IUPAC name of (Z)-2-ethenylpent-1-en-1-amine (CID 177188955) is (Z)-2-ethenylpent-1-en-1-amine.
What is the SMILES notation for (Z)-2-ethenylpent-1-en-1-amine?
The canonical SMILES for (Z)-2-ethenylpent-1-en-1-amine is C=C/C(=C\N)CCC.
What is the InChIKey of (Z)-2-ethenylpent-1-en-1-amine?
The InChIKey is PEVOGPCLDVBCRW-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-7(4-2)6-8/h4,6H,2-3,5,8H2,1H3/b7-6+.
What are the key properties of (Z)-2-ethenylpent-1-en-1-amine?
(Z)-2-ethenylpent-1-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylpent-1-en-1-amine is sourced from PubChem (CID 177188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).