7-iminohepta-2,4-dien-1-amine

C7H12N2 — CID 90718728

IUPAC7-iminohepta-2,4-dien-1-amine
SMILES[H]/N=C/CC=CC=CCN
InChIInChI=1S/C7H12N2/c8-6-4-2-1-3-5-7-9/h1-4,7,9H,5-6,8H2/b3-1?,4-2?,9-7+
InChIKeyQDSNSEQRCAGEGL-JXTIWMBVSA-N
MW124.19 g/mol
LogP1.10
Rot. Bonds4

About 7-iminohepta-2,4-dien-1-amine

7-iminohepta-2,4-dien-1-amine (PubChem CID 90718728) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 7-iminohepta-2,4-dien-1-amine.

Molecular Properties

Compound Name7-iminohepta-2,4-dien-1-amine
PubChem CID90718728
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name7-iminohepta-2,4-dien-1-amine
SMILES[H]/N=C/CC=CC=CCN
InChIInChI=1S/C7H12N2/c8-6-4-2-1-3-5-7-9/h1-4,7,9H,5-6,8H2/b3-1?,4-2?,9-7+
InChIKeyQDSNSEQRCAGEGL-JXTIWMBVSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

Hexa-3,5-dien-1-imine
CID 54163040
(Z)-5-imino-2-methylidenepent-3-en-1-amine
CID 89199494
7-Iminohept-2-en-1-amine
CID 91081124
(3Z)-hexa-3,5-dien-1-imine
CID 91265074
(3Z,5Z)-octa-3,5-diene-1,8-diimine
CID 118901349
(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
CID 118901632
5-Iminopent-2-en-1-amine
CID 123203625
(Z)-5-iminopent-3-en-1-amine
CID 123325470
6-Methyliminohex-2-en-1-amine
CID 123732613
5-Iminopent-3-en-1-amine
CID 123777766
(3Z)-hepta-3,5-dien-1-imine
CID 123947844
(2E,4E)-4-bromo-7-iminohepta-2,4-dien-1-amine
CID 124017628

Frequently Asked Questions

What is the IUPAC name of 7-iminohepta-2,4-dien-1-amine?
The IUPAC name of 7-iminohepta-2,4-dien-1-amine (CID 90718728) is 7-iminohepta-2,4-dien-1-amine.
What is the SMILES notation for 7-iminohepta-2,4-dien-1-amine?
The canonical SMILES for 7-iminohepta-2,4-dien-1-amine is [H]/N=C/CC=CC=CCN.
What is the InChIKey of 7-iminohepta-2,4-dien-1-amine?
The InChIKey is QDSNSEQRCAGEGL-JXTIWMBVSA-N. The full InChI is InChI=1S/C7H12N2/c8-6-4-2-1-3-5-7-9/h1-4,7,9H,5-6,8H2/b3-1?,4-2?,9-7+.
What are the key properties of 7-iminohepta-2,4-dien-1-amine?
7-iminohepta-2,4-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminohepta-2,4-dien-1-amine is sourced from PubChem (CID 90718728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).