4-cyclohexylimino-3-methylbut-2-en-2-amine

C11H20N2 — CID 174077493

IUPAC4-cyclohexylimino-3-methylbut-2-en-2-amine
SMILESCC(N)=C(C)/C=N/C1CCCCC1
InChIInChI=1S/C11H20N2/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h8,11H,3-7,12H2,1-2H3/b10-9?,13-8+
InChIKeyJSCBLKRZNREVRC-DXJPWWCWSA-N
MW180.29 g/mol
LogP2.64
Rot. Bonds2

About 4-cyclohexylimino-3-methylbut-2-en-2-amine

4-cyclohexylimino-3-methylbut-2-en-2-amine (PubChem CID 174077493) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-cyclohexylimino-3-methylbut-2-en-2-amine.

Molecular Properties

Compound Name4-cyclohexylimino-3-methylbut-2-en-2-amine
PubChem CID174077493
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-cyclohexylimino-3-methylbut-2-en-2-amine
SMILESCC(N)=C(C)/C=N/C1CCCCC1
InChIInChI=1S/C11H20N2/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h8,11H,3-7,12H2,1-2H3/b10-9?,13-8+
InChIKeyJSCBLKRZNREVRC-DXJPWWCWSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-3-methylbut-2-en-2-amine?
The IUPAC name of 4-cyclohexylimino-3-methylbut-2-en-2-amine (CID 174077493) is 4-cyclohexylimino-3-methylbut-2-en-2-amine.
What is the SMILES notation for 4-cyclohexylimino-3-methylbut-2-en-2-amine?
The canonical SMILES for 4-cyclohexylimino-3-methylbut-2-en-2-amine is CC(N)=C(C)/C=N/C1CCCCC1.
What is the InChIKey of 4-cyclohexylimino-3-methylbut-2-en-2-amine?
The InChIKey is JSCBLKRZNREVRC-DXJPWWCWSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h8,11H,3-7,12H2,1-2H3/b10-9?,13-8+.
What are the key properties of 4-cyclohexylimino-3-methylbut-2-en-2-amine?
4-cyclohexylimino-3-methylbut-2-en-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-3-methylbut-2-en-2-amine is sourced from PubChem (CID 174077493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).