N-cyclohexyl-3-methylbut-3-en-2-imine

C11H19N — CID 86006546

IUPACN-cyclohexyl-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,1,4-8H2,2-3H3/b12-10+
InChIKeyVHJPWQSETTUZMM-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds2

About N-cyclohexyl-3-methylbut-3-en-2-imine

N-cyclohexyl-3-methylbut-3-en-2-imine (PubChem CID 86006546) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-cyclohexyl-3-methylbut-3-en-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-methylbut-3-en-2-imine
PubChem CID86006546
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-cyclohexyl-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,1,4-8H2,2-3H3/b12-10+
InChIKeyVHJPWQSETTUZMM-ZRDIBKRKSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
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 166712384
N-cyclohexylethanimidoyl fluoride
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CID 101358854
tris(cyclohexyl-(N-cyclohexyl-C-methylcarbonimidoyl)azanide);neodymium(3+)
CID 11170307
N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
CID 157326609
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
N-cyclohexylmethanimine;ethane
CID 91081056
N'-cyclopentyl-3-methylbut-2-enimidamide
CID 142193446
cobalt(3+);N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-4-methyl-2-pyridinyl]ethanimine;trichloride
CID 173244063
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
2-cyclopentyl-1-methylideneguanidine
CID 169234750

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylbut-3-en-2-imine?
The IUPAC name of N-cyclohexyl-3-methylbut-3-en-2-imine (CID 86006546) is N-cyclohexyl-3-methylbut-3-en-2-imine.
What is the SMILES notation for N-cyclohexyl-3-methylbut-3-en-2-imine?
The canonical SMILES for N-cyclohexyl-3-methylbut-3-en-2-imine is C=C(C)/C(C)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methylbut-3-en-2-imine?
The InChIKey is VHJPWQSETTUZMM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h11H,1,4-8H2,2-3H3/b12-10+.
What are the key properties of N-cyclohexyl-3-methylbut-3-en-2-imine?
N-cyclohexyl-3-methylbut-3-en-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylbut-3-en-2-imine is sourced from PubChem (CID 86006546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).