N-methylhex-4-en-3-imine

C7H13N — CID 90818744

IUPACN-methylhex-4-en-3-imine
SMILESCC=C/C(CC)=N/C
InChIInChI=1S/C7H13N/c1-4-6-7(5-2)8-3/h4,6H,5H2,1-3H3/b6-4?,8-7+
InChIKeyHVJGZQWPJJWYAO-MPDFOIGASA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds2

About N-methylhex-4-en-3-imine

N-methylhex-4-en-3-imine (PubChem CID 90818744) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-methylhex-4-en-3-imine.

Molecular Properties

Compound NameN-methylhex-4-en-3-imine
PubChem CID90818744
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-methylhex-4-en-3-imine
SMILESCC=C/C(CC)=N/C
InChIInChI=1S/C7H13N/c1-4-6-7(5-2)8-3/h4,6H,5H2,1-3H3/b6-4?,8-7+
InChIKeyHVJGZQWPJJWYAO-MPDFOIGASA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
N-methylpent-4-en-2-imine
CID 91448417
N-methyl-methyl-3-pentenylidenimine
CID 123242629
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942

Frequently Asked Questions

What is the IUPAC name of N-methylhex-4-en-3-imine?
The IUPAC name of N-methylhex-4-en-3-imine (CID 90818744) is N-methylhex-4-en-3-imine.
What is the SMILES notation for N-methylhex-4-en-3-imine?
The canonical SMILES for N-methylhex-4-en-3-imine is CC=C/C(CC)=N/C.
What is the InChIKey of N-methylhex-4-en-3-imine?
The InChIKey is HVJGZQWPJJWYAO-MPDFOIGASA-N. The full InChI is InChI=1S/C7H13N/c1-4-6-7(5-2)8-3/h4,6H,5H2,1-3H3/b6-4?,8-7+.
What are the key properties of N-methylhex-4-en-3-imine?
N-methylhex-4-en-3-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-4-en-3-imine is sourced from PubChem (CID 90818744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).