N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine

C12H19N — CID 123383586

IUPACN-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C=C)C(C)C(C)C
InChIInChI=1S/C12H19N/c1-6-8-13-9-12(7-2)11(5)10(3)4/h6-11H,1-2H2,3-5H3/b12-9?,13-8+
InChIKeyHWIDHIDPLIDTFW-JRHXQAKDSA-N
MW177.29 g/mol
LogP3.61
Rot. Bonds5

About N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine

N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine (PubChem CID 123383586) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine
PubChem CID123383586
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C=C)C(C)C(C)C
InChIInChI=1S/C12H19N/c1-6-8-13-9-12(7-2)11(5)10(3)4/h6-11H,1-2H2,3-5H3/b12-9?,13-8+
InChIKeyHWIDHIDPLIDTFW-JRHXQAKDSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938
3-butan-2-yl-3H-pyrrole
CID 59658271
N-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]ethanimine
CID 68023845
N-[(E)-3-ethenylhex-1-enyl]ethanimine
CID 89064164
(2Z,7E)-N,4-dimethyl-5-[(Z)-prop-1-enyl]nona-2,7-dien-1-imine
CID 89327958
4-methyl-3-propan-2-yl-4,5-dihydro-3H-azepine
CID 89360358
N-(2-propan-2-ylbuta-1,3-dienyl)ethanimine
CID 91250764
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
CID 91475759
3-Ethyl-4-methyl-3,4-dihydropyridine
CID 118098199

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine?
The IUPAC name of N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine (CID 123383586) is N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine?
The canonical SMILES for N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine is C=C/C=N/C=C(C=C)C(C)C(C)C.
What is the InChIKey of N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine?
The InChIKey is HWIDHIDPLIDTFW-JRHXQAKDSA-N. The full InChI is InChI=1S/C12H19N/c1-6-8-13-9-12(7-2)11(5)10(3)4/h6-11H,1-2H2,3-5H3/b12-9?,13-8+.
What are the key properties of N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine?
N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-3,4-dimethylpent-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 123383586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).