1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine

C14H26N2 — CID 79406492

IUPAC1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(C2CC=CCC2)C(C)C1C
InChIInChI=1S/C14H26N2/c1-11-12(2)16(10-9-14(11)15-3)13-7-5-4-6-8-13/h4-5,11-15H,6-10H2,1-3H3
InChIKeyKEFPRMVQONUTDQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine

1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79406492) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine
PubChem CID79406492
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(C2CC=CCC2)C(C)C1C
InChIInChI=1S/C14H26N2/c1-11-12(2)16(10-9-14(11)15-3)13-7-5-4-6-8-13/h4-5,11-15H,6-10H2,1-3H3
InChIKeyKEFPRMVQONUTDQ-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.41
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 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine (CID 79406492) is 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(C2CC=CCC2)C(C)C1C.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is KEFPRMVQONUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-12(2)16(10-9-14(11)15-3)13-7-5-4-6-8-13/h4-5,11-15H,6-10H2,1-3H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine?
1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79406492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).