(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine

C12H21N — CID 123345016

IUPAC(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine
SMILESC/C=C(C)\C(C)=N\C1CCCCC1
InChIInChI=1S/C12H21N/c1-4-10(2)11(3)13-12-8-6-5-7-9-12/h4,12H,5-9H2,1-3H3/b10-4-,13-11+
InChIKeyOKAAYKMYRZQDPP-UVCAPFHASA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds2

About (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine

(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine (PubChem CID 123345016) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine
PubChem CID123345016
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine
SMILESC/C=C(C)\C(C)=N\C1CCCCC1
InChIInChI=1S/C12H21N/c1-4-10(2)11(3)13-12-8-6-5-7-9-12/h4,12H,5-9H2,1-3H3/b10-4-,13-11+
InChIKeyOKAAYKMYRZQDPP-UVCAPFHASA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
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

Azabicyclohexene
CID 67825525
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
CID 91344076
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564
5-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrrole
CID 10057693
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
1-(cyclohexen-1-yl)-N-cyclohexylpropan-1-imine
CID 86006548
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
CID 134998216
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine?
The IUPAC name of (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine (CID 123345016) is (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine is C/C=C(C)\C(C)=N\C1CCCCC1.
What is the InChIKey of (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine?
The InChIKey is OKAAYKMYRZQDPP-UVCAPFHASA-N. The full InChI is InChI=1S/C12H21N/c1-4-10(2)11(3)13-12-8-6-5-7-9-12/h4,12H,5-9H2,1-3H3/b10-4-,13-11+.
What are the key properties of (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine?
(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclohexyl-3-methylpent-3-en-2-imine is sourced from PubChem (CID 123345016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).