N-cyclohexylbut-3-en-2-imine

C10H17N — CID 12524824

IUPACN-cyclohexylbut-3-en-2-imine
SMILESC=C/C(C)=N/C1CCCCC1
InChIInChI=1S/C10H17N/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1,4-8H2,2H3/b11-9+
InChIKeyWKFLNGSIYBCEPZ-PKNBQFBNSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds2

About N-cyclohexylbut-3-en-2-imine

N-cyclohexylbut-3-en-2-imine (PubChem CID 12524824) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-cyclohexylbut-3-en-2-imine.

Molecular Properties

Compound NameN-cyclohexylbut-3-en-2-imine
PubChem CID12524824
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-cyclohexylbut-3-en-2-imine
SMILESC=C/C(C)=N/C1CCCCC1
InChIInChI=1S/C10H17N/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1,4-8H2,2H3/b11-9+
InChIKeyWKFLNGSIYBCEPZ-PKNBQFBNSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
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

N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
N-cyclohexylpent-1-en-3-imine
CID 123703101
(4Z)-N-hexan-2-ylhexa-1,4-dien-3-imine
CID 139423274
N-cyclohexylbut-1-en-1-imine
CID 139667678
1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 140514520
N-cyclohexylhepta-1,2-dien-1-imine
CID 140968843
N-cyclopentylbut-3-en-2-imine
CID 169181897
N-cyclohexylpent-3-en-2-imine
CID 174297228
N-hexan-2-ylhex-5-en-3-imine
CID 175271703

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbut-3-en-2-imine?
The IUPAC name of N-cyclohexylbut-3-en-2-imine (CID 12524824) is N-cyclohexylbut-3-en-2-imine.
What is the SMILES notation for N-cyclohexylbut-3-en-2-imine?
The canonical SMILES for N-cyclohexylbut-3-en-2-imine is C=C/C(C)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylbut-3-en-2-imine?
The InChIKey is WKFLNGSIYBCEPZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N/c1-3-9(2)11-10-7-5-4-6-8-10/h3,10H,1,4-8H2,2H3/b11-9+.
What are the key properties of N-cyclohexylbut-3-en-2-imine?
N-cyclohexylbut-3-en-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbut-3-en-2-imine is sourced from PubChem (CID 12524824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).