(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine

C9H16N2 — CID 89083368

IUPAC(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine
SMILESC=C/C(=C\N=C\CC)CCN
InChIInChI=1S/C9H16N2/c1-3-7-11-8-9(4-2)5-6-10/h4,7-8H,2-3,5-6,10H2,1H3/b9-8+,11-7+
InChIKeyCSOHPDGTQBQJDM-WSMCZHAYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds5

About (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine

(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine (PubChem CID 89083368) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine
PubChem CID89083368
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine
SMILESC=C/C(=C\N=C\CC)CCN
InChIInChI=1S/C9H16N2/c1-3-7-11-8-9(4-2)5-6-10/h4,7-8H,2-3,5-6,10H2,1H3/b9-8+,11-7+
InChIKeyCSOHPDGTQBQJDM-WSMCZHAYSA-N
XLogP1.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine?
The IUPAC name of (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine (CID 89083368) is (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine.
What is the SMILES notation for (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine?
The canonical SMILES for (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine is C=C/C(=C\N=C\CC)CCN.
What is the InChIKey of (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine?
The InChIKey is CSOHPDGTQBQJDM-WSMCZHAYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-7-11-8-9(4-2)5-6-10/h4,7-8H,2-3,5-6,10H2,1H3/b9-8+,11-7+.
What are the key properties of (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine?
(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine is sourced from PubChem (CID 89083368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).