N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine

C12H23N — CID 155373883

IUPACN-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine
SMILESC/C=C(CCC)\N=C(/C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-9-11(8-2)13-10(3)12(4,5)6/h8H,7,9H2,1-6H3/b11-8-,13-10+
InChIKeyJBTRVKRFZKWUBV-HIIDVJQZSA-N
MW181.32 g/mol
LogP4.20
Rot. Bonds3

About N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine

N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine (PubChem CID 155373883) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine
PubChem CID155373883
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine
SMILESC/C=C(CCC)\N=C(/C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-9-11(8-2)13-10(3)12(4,5)6/h8H,7,9H2,1-6H3/b11-8-,13-10+
InChIKeyJBTRVKRFZKWUBV-HIIDVJQZSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.20
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

2,3,3,5-Tetramethylpyrrole
CID 13734873
2,6-Di-tert-butyl-4,8-dimethyl-1,5-diazocine
CID 102291686
2,6-Di-tert-butyl-4,8-dibutyl-1,5-diazocine
CID 102291687
3H-Pyrrole, 2,3,3-trimethyl-5-(1-methylethyl)-
CID 5325602
2,5-ditert-butyl-3H-pyrrole
CID 57571665
5-tert-butyl-2-methyl-3H-pyrrole
CID 58263517
2-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 58333388
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
(Z)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 59782196
5-(2,2-dimethylpropyl)-2-methyl-3H-pyrrole
CID 68011810
2,3-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68404427
N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 72560394

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine?
The IUPAC name of N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine (CID 155373883) is N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine.
What is the SMILES notation for N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine?
The canonical SMILES for N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine is C/C=C(CCC)\N=C(/C)C(C)(C)C.
What is the InChIKey of N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine?
The InChIKey is JBTRVKRFZKWUBV-HIIDVJQZSA-N. The full InChI is InChI=1S/C12H23N/c1-7-9-11(8-2)13-10(3)12(4,5)6/h8H,7,9H2,1-6H3/b11-8-,13-10+.
What are the key properties of N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine?
N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 155373883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).