2-methyliminohexa-3,5-dien-1-amine

C7H12N2 — CID 123554614

IUPAC2-methyliminohexa-3,5-dien-1-amine
SMILESC=CC=C/C(CN)=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-7(6-8)9-2/h3-5H,1,6,8H2,2H3/b5-4?,9-7-
InChIKeyJRFKQWPRUIBJNA-HFOWNTLMSA-N
MW124.19 g/mol
LogP0.76
Rot. Bonds3

About 2-methyliminohexa-3,5-dien-1-amine

2-methyliminohexa-3,5-dien-1-amine (PubChem CID 123554614) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyliminohexa-3,5-dien-1-amine.

Molecular Properties

Compound Name2-methyliminohexa-3,5-dien-1-amine
PubChem CID123554614
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyliminohexa-3,5-dien-1-amine
SMILESC=CC=C/C(CN)=N/C
InChIInChI=1S/C7H12N2/c1-3-4-5-7(6-8)9-2/h3-5H,1,6,8H2,2H3/b5-4?,9-7-
InChIKeyJRFKQWPRUIBJNA-HFOWNTLMSA-N
XLogP0.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.76
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

(3-Fluoro-2,3-dihydropyridin-6-yl)methanamine
CID 91464248
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
7-methyl-2H-azepine
CID 23594838
2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 59789006
2H-pyrrol-5-ylmethanamine
CID 67991228
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
(Z)-5-N-methylhex-3-ene-2,5-diimine
CID 89591069
(3Z,5Z)-N-methylhepta-3,5-dien-2-imine
CID 89597212
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
N-methylocta-3,5-dien-2-imine
CID 90686223
2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 91302499

Frequently Asked Questions

What is the IUPAC name of 2-methyliminohexa-3,5-dien-1-amine?
The IUPAC name of 2-methyliminohexa-3,5-dien-1-amine (CID 123554614) is 2-methyliminohexa-3,5-dien-1-amine.
What is the SMILES notation for 2-methyliminohexa-3,5-dien-1-amine?
The canonical SMILES for 2-methyliminohexa-3,5-dien-1-amine is C=CC=C/C(CN)=N/C.
What is the InChIKey of 2-methyliminohexa-3,5-dien-1-amine?
The InChIKey is JRFKQWPRUIBJNA-HFOWNTLMSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-7(6-8)9-2/h3-5H,1,6,8H2,2H3/b5-4?,9-7-.
What are the key properties of 2-methyliminohexa-3,5-dien-1-amine?
2-methyliminohexa-3,5-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminohexa-3,5-dien-1-amine is sourced from PubChem (CID 123554614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).