(2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine

C7H12N2 — CID 134188351

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

About (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine

(2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine (PubChem CID 134188351) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine
PubChem CID134188351
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine
SMILESC=CC(/C=N/C)=C(\C)N
InChIInChI=1S/C7H12N2/c1-4-7(5-9-3)6(2)8/h4-5H,1,8H2,2-3H3/b7-6-,9-5+
InChIKeyIYIDXBBVSDEGIH-QRLJIZSYSA-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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Related Compounds

1-Fluoro-3-(methyliminomethyl)-1-phosphanylpenta-2,4-dien-2-amine
CID 173853207
(2Z,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
CID 88849027
(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
CID 88860380
(3Z)-5-imino-4-methylpenta-1,3-dien-3-amine
CID 124148224
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
CID 130225091
(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine
CID 134242025
(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
CID 138510815
2-(Ethyliminomethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 141841980
(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
CID 142468581
ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
CID 143106494
(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
CID 143298419
ethane;(3E)-N-methyl-4-(methyliminomethyl)hexa-1,3,5-trien-3-amine
CID 143402583

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine (CID 134188351) is (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine is C=CC(/C=N/C)=C(\C)N.
What is the InChIKey of (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine?
The InChIKey is IYIDXBBVSDEGIH-QRLJIZSYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(5-9-3)6(2)8/h4-5H,1,8H2,2-3H3/b7-6-,9-5+.
What are the key properties of (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine?
(2Z)-3-(methyliminomethyl)penta-2,4-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 (2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 134188351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).