6-imino-N-methylhex-4-en-1-amine

C7H14N2 — CID 123776994

IUPAC6-imino-N-methylhex-4-en-1-amine
SMILES[H]/N=C/C=CCCCNC
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,6,8-9H,3,5,7H2,1H3/b4-2?,8-6+
InChIKeyGDIIXRDHANMERW-FRPJXTLBSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds5

About 6-imino-N-methylhex-4-en-1-amine

6-imino-N-methylhex-4-en-1-amine (PubChem CID 123776994) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-imino-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name6-imino-N-methylhex-4-en-1-amine
PubChem CID123776994
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name6-imino-N-methylhex-4-en-1-amine
SMILES[H]/N=C/C=CCCCNC
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,6,8-9H,3,5,7H2,1H3/b4-2?,8-6+
InChIKeyGDIIXRDHANMERW-FRPJXTLBSA-N
XLogP1.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-imino-N-methylhex-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-ethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 132003988
(E,5Z)-N-methyl-5-(methylhydrazinylidene)pent-3-en-1-amine
CID 118617235
(E,5Z)-5-hydrazinylidene-N-methylpent-3-en-1-amine
CID 118617253
1-imino-N-methylhept-5-en-2-amine
CID 123138426
2-(2,3-dihydropyridin-3-yl)-N-methylethanamine
CID 123156694
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
N-methyl-3,4-dihydro-2H-azepin-4-amine
CID 138744955
(Z)-3-imino-N-methylhept-4-en-1-amine
CID 139477694
N-methyl-3,4-dihydro-2H-azepin-5-amine
CID 142102774
(E)-N,3-dimethyl-5-methyliminopent-3-en-1-amine
CID 143115309
(E)-N-(2-iminoethyl)pent-2-en-1-amine
CID 143175901

Frequently Asked Questions

What is the IUPAC name of 6-imino-N-methylhex-4-en-1-amine?
The IUPAC name of 6-imino-N-methylhex-4-en-1-amine (CID 123776994) is 6-imino-N-methylhex-4-en-1-amine.
What is the SMILES notation for 6-imino-N-methylhex-4-en-1-amine?
The canonical SMILES for 6-imino-N-methylhex-4-en-1-amine is [H]/N=C/C=CCCCNC.
What is the InChIKey of 6-imino-N-methylhex-4-en-1-amine?
The InChIKey is GDIIXRDHANMERW-FRPJXTLBSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,6,8-9H,3,5,7H2,1H3/b4-2?,8-6+.
What are the key properties of 6-imino-N-methylhex-4-en-1-amine?
6-imino-N-methylhex-4-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-N-methylhex-4-en-1-amine is sourced from PubChem (CID 123776994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).