(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine

C7H12N2 — CID 134242025

IUPAC(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine
SMILESC=C(N)C(=C/C)/C=N/C
InChIInChI=1S/C7H12N2/c1-4-7(5-9-3)6(2)8/h4-5H,2,8H2,1,3H3/b7-4+,9-5+
InChIKeySZDYLMHJDLJQSO-XCIOYXGDSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds2

About (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine

(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine (PubChem CID 134242025) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine
PubChem CID134242025
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine
SMILESC=C(N)C(=C/C)/C=N/C
InChIInChI=1S/C7H12N2/c1-4-7(5-9-3)6(2)8/h4-5H,2,8H2,1,3H3/b7-4+,9-5+
InChIKeySZDYLMHJDLJQSO-XCIOYXGDSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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-(methyliminomethyl)penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine (CID 134242025) is (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine is C=C(N)C(=C/C)/C=N/C.
What is the InChIKey of (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine?
The InChIKey is SZDYLMHJDLJQSO-XCIOYXGDSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(5-9-3)6(2)8/h4-5H,2,8H2,1,3H3/b7-4+,9-5+.
What are the key properties of (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine?
(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 134242025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).