(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

C15H25N — CID 142188880

IUPAC(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESCC(C)=C(C)/N=C(C)/C=C/C1CCCCC1
InChIInChI=1S/C15H25N/c1-12(2)14(4)16-13(3)10-11-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+,16-13+
InChIKeyXFGRIOBZMRLYJW-QDTXCPDVSA-N
MW219.37 g/mol
LogP4.90
Rot. Bonds3

About (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (PubChem CID 142188880) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
PubChem CID142188880
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESCC(C)=C(C)/N=C(C)/C=C/C1CCCCC1
InChIInChI=1S/C15H25N/c1-12(2)14(4)16-13(3)10-11-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+,16-13+
InChIKeyXFGRIOBZMRLYJW-QDTXCPDVSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.90
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

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CID 57200011
(Z)-4,6-dimethyl-N-prop-1-en-2-ylhept-3-en-2-imine
CID 89319148
N,3,4-trimethylcyclohex-2-en-1-imine
CID 90861631
(3Z)-3-(2-ethylbutylidene)-2-methyl-6-propan-2-yl-4H-pyridine
CID 91146280
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157
3-ethylidene-N,5-dimethylheptan-2-imine
CID 123215732
N,3,5-trimethylnona-5,8-dien-4-imine
CID 123444373
N-methyl-6-propylcyclohex-2-en-1-imine
CID 123602981
6-Butan-2-yl-5-ethyl-3-methyl-2,3-dihydropyridine
CID 123847631
(E)-N,4,5-trimethyloct-3-en-2-imine
CID 123948823
1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine
CID 134219978
(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine
CID 134293805

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The IUPAC name of (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (CID 142188880) is (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.
What is the SMILES notation for (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The canonical SMILES for (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is CC(C)=C(C)/N=C(C)/C=C/C1CCCCC1.
What is the InChIKey of (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The InChIKey is XFGRIOBZMRLYJW-QDTXCPDVSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)14(4)16-13(3)10-11-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+,16-13+.
What are the key properties of (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
(E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine has a molecular weight of 219.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclohexyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is sourced from PubChem (CID 142188880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).