(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine

C15H27N — CID 70960155

IUPAC(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine
SMILESC/C=C(\NC)C1CCC(CCC)C=C1CC
InChIInChI=1S/C15H27N/c1-5-8-12-9-10-14(13(6-2)11-12)15(7-3)16-4/h7,11-12,14,16H,5-6,8-10H2,1-4H3/b15-7-
InChIKeyBDFGCHLJSGPLEW-CHHVJCJISA-N
MW221.39 g/mol
LogP4.27
Rot. Bonds5

About (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine

(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine (PubChem CID 70960155) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine
PubChem CID70960155
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine
SMILESC/C=C(\NC)C1CCC(CCC)C=C1CC
InChIInChI=1S/C15H27N/c1-5-8-12-9-10-14(13(6-2)11-12)15(7-3)16-4/h7,11-12,14,16H,5-6,8-10H2,1-4H3/b15-7-
InChIKeyBDFGCHLJSGPLEW-CHHVJCJISA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine?
The IUPAC name of (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine (CID 70960155) is (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine is C/C=C(\NC)C1CCC(CCC)C=C1CC.
What is the InChIKey of (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine?
The InChIKey is BDFGCHLJSGPLEW-CHHVJCJISA-N. The full InChI is InChI=1S/C15H27N/c1-5-8-12-9-10-14(13(6-2)11-12)15(7-3)16-4/h7,11-12,14,16H,5-6,8-10H2,1-4H3/b15-7-.
What are the key properties of (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine?
(Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethyl-4-propylcyclohex-2-en-1-yl)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 70960155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).