N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine

C12H21N — CID 130320687

IUPACN-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C=C(/C)C(C)C
InChIInChI=1S/C12H21N/c1-6-8-12(7-2)13-9-11(5)10(3)4/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,13-12+
InChIKeyAGRNKMPTIUJJHM-GNDASISDSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine

N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine (PubChem CID 130320687) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
PubChem CID130320687
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C=C(/C)C(C)C
InChIInChI=1S/C12H21N/c1-6-8-12(7-2)13-9-11(5)10(3)4/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,13-12+
InChIKeyAGRNKMPTIUJJHM-GNDASISDSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
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

(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
N-[(E)-3-fluoro-2-methyl-3-phosphanylbut-1-enyl]-4-methylpent-1-en-3-imine
CID 170391438
5-methyl-N-[(E)-3-methyl-2-(trifluoromethyl)pent-1-enyl]hept-1-en-3-imine
CID 178686336
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
(Z)-2-methyl-N-[(E)-prop-1-enyl]hex-4-en-3-imine
CID 88538244
N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900845
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
3-methyl-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 89188301
N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
CID 89227476
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine (CID 130320687) is N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine is C=C/C(CCC)=N\C=C(/C)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine?
The InChIKey is AGRNKMPTIUJJHM-GNDASISDSA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-12(7-2)13-9-11(5)10(3)4/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,13-12+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine?
N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]hex-1-en-3-imine is sourced from PubChem (CID 130320687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).