(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine

C8H11N — CID 155328555

IUPAC(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
SMILESC#CCNC(=C)/C=C\C
InChIInChI=1S/C8H11N/c1-4-6-8(3)9-7-5-2/h2,4,6,9H,3,7H2,1H3/b6-4-
InChIKeySFDIMMPEDFLXCX-XQRVVYSFSA-N
MW121.18 g/mol
LogP1.30
Rot. Bonds3

About (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine

(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine (PubChem CID 155328555) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
PubChem CID155328555
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
SMILESC#CCNC(=C)/C=C\C
InChIInChI=1S/C8H11N/c1-4-6-8(3)9-7-5-2/h2,4,6,9H,3,7H2,1H3/b6-4-
InChIKeySFDIMMPEDFLXCX-XQRVVYSFSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine (CID 155328555) is (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine is C#CCNC(=C)/C=C\C.
What is the InChIKey of (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine?
The InChIKey is SFDIMMPEDFLXCX-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11N/c1-4-6-8(3)9-7-5-2/h2,4,6,9H,3,7H2,1H3/b6-4-.
What are the key properties of (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine?
(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine has a molecular weight of 121.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine is sourced from PubChem (CID 155328555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).