1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine

C15H27N3 — CID 123934981

IUPAC1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine
SMILESCC/N=C1\CCC(N2CCCC(N)C2)C(C)=C1C
InChIInChI=1S/C15H27N3/c1-4-17-14-7-8-15(12(3)11(14)2)18-9-5-6-13(16)10-18/h13,15H,4-10,16H2,1-3H3/b17-14+
InChIKeyFOTQATHCIWGLQD-SAPNQHFASA-N
MW249.40 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine

1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine (PubChem CID 123934981) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine
PubChem CID123934981
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine
SMILESCC/N=C1\CCC(N2CCCC(N)C2)C(C)=C1C
InChIInChI=1S/C15H27N3/c1-4-17-14-7-8-15(12(3)11(14)2)18-9-5-6-13(16)10-18/h13,15H,4-10,16H2,1-3H3/b17-14+
InChIKeyFOTQATHCIWGLQD-SAPNQHFASA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
CID 177021763
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
CID 170079294
N,2-dimethyl-3-propan-2-ylidenepiperidin-4-imine;ethane
CID 177022130
N'-ethyl-N'-[4-(2-methylcyclohexen-1-yl)-4-methyliminobutyl]ethane-1,2-diamine
CID 141879972
N,2-dimethyl-3-propan-2-ylidenepiperidin-4-imine
CID 177022131

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine?
The IUPAC name of 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine (CID 123934981) is 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine.
What is the SMILES notation for 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine?
The canonical SMILES for 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine is CC/N=C1\CCC(N2CCCC(N)C2)C(C)=C1C.
What is the InChIKey of 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine?
The InChIKey is FOTQATHCIWGLQD-SAPNQHFASA-N. The full InChI is InChI=1S/C15H27N3/c1-4-17-14-7-8-15(12(3)11(14)2)18-9-5-6-13(16)10-18/h13,15H,4-10,16H2,1-3H3/b17-14+.
What are the key properties of 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine?
1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine has a molecular weight of 249.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylimino-2,3-dimethylcyclohex-2-en-1-yl)piperidin-3-amine is sourced from PubChem (CID 123934981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).