N,3-dimethylpent-3-en-2-imine

C7H13N — CID 58898687

IUPACN,3-dimethylpent-3-en-2-imine
SMILESCC=C(C)/C(C)=N/C
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/b6-5?,8-7+
InChIKeyUNZBVAYOXJXDLI-GCSGCOTJSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds1

About N,3-dimethylpent-3-en-2-imine

N,3-dimethylpent-3-en-2-imine (PubChem CID 58898687) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound NameN,3-dimethylpent-3-en-2-imine
PubChem CID58898687
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,3-dimethylpent-3-en-2-imine
SMILESCC=C(C)/C(C)=N/C
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/b6-5?,8-7+
InChIKeyUNZBVAYOXJXDLI-GCSGCOTJSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
4-fluoro-N,3-dimethylpent-3-en-2-imine
CID 123892315
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942
(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 145431803
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
CID 139212201
methyl-[(Z)-3-methylpent-3-en-2-ylidene]azanium
CID 139212202
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpent-3-en-2-imine?
The IUPAC name of N,3-dimethylpent-3-en-2-imine (CID 58898687) is N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for N,3-dimethylpent-3-en-2-imine is CC=C(C)/C(C)=N/C.
What is the InChIKey of N,3-dimethylpent-3-en-2-imine?
The InChIKey is UNZBVAYOXJXDLI-GCSGCOTJSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/b6-5?,8-7+.
What are the key properties of N,3-dimethylpent-3-en-2-imine?
N,3-dimethylpent-3-en-2-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 58898687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).