N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine

C14H26N2 — CID 115890845

IUPACN-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine
SMILESCCN1CCC(NC2CC=CCC2)CC1C
InChIInChI=1S/C14H26N2/c1-3-16-10-9-14(11-12(16)2)15-13-7-5-4-6-8-13/h4-5,12-15H,3,6-11H2,1-2H3
InChIKeyKKFBVCWXHQMDEK-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds3

About N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine

N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine (PubChem CID 115890845) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine
PubChem CID115890845
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine
SMILESCCN1CCC(NC2CC=CCC2)CC1C
InChIInChI=1S/C14H26N2/c1-3-16-10-9-14(11-12(16)2)15-13-7-5-4-6-8-13/h4-5,12-15H,3,6-11H2,1-2H3
InChIKeyKKFBVCWXHQMDEK-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine (CID 115890845) is N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine is CCN1CCC(NC2CC=CCC2)CC1C.
What is the InChIKey of N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine?
The InChIKey is KKFBVCWXHQMDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-16-10-9-14(11-12(16)2)15-13-7-5-4-6-8-13/h4-5,12-15H,3,6-11H2,1-2H3.
What are the key properties of N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine?
N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-1-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 115890845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).