N-cyclohexylbut-1-en-1-imine

C10H17N — CID 139667678

IUPACN-cyclohexylbut-1-en-1-imine
SMILESCCC=C=NC1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3
InChIKeyTXGYVKMTCFVQMX-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.95
Rot. Bonds2

About N-cyclohexylbut-1-en-1-imine

N-cyclohexylbut-1-en-1-imine (PubChem CID 139667678) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-cyclohexylbut-1-en-1-imine.

Molecular Properties

Compound NameN-cyclohexylbut-1-en-1-imine
PubChem CID139667678
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-cyclohexylbut-1-en-1-imine
SMILESCCC=C=NC1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3
InChIKeyTXGYVKMTCFVQMX-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-2-methylbut-1-en-1-imine
CID 12951386
N-cyclohexylbut-3-en-2-imine
CID 12524824
N-cyclohexylpropa-1,2-dien-1-imine
CID 21799185
N-hexylbut-1-en-1-imine
CID 88133285
N-cyclohexylhepta-1,2-dien-1-imine
CID 140968843
2-Butyl-1-azacycloundeca-10,11-diene
CID 164159256
N-[(2R)-octan-2-yl]hexa-1,2-dien-1-imine
CID 173958065

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylbut-1-en-1-imine?
The IUPAC name of N-cyclohexylbut-1-en-1-imine (CID 139667678) is N-cyclohexylbut-1-en-1-imine.
What is the SMILES notation for N-cyclohexylbut-1-en-1-imine?
The canonical SMILES for N-cyclohexylbut-1-en-1-imine is CCC=C=NC1CCCCC1.
What is the InChIKey of N-cyclohexylbut-1-en-1-imine?
The InChIKey is TXGYVKMTCFVQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3.
What are the key properties of N-cyclohexylbut-1-en-1-imine?
N-cyclohexylbut-1-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbut-1-en-1-imine is sourced from PubChem (CID 139667678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).