(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine

C14H27NO — CID 79337584

IUPAC(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-12-4-6-14(7-5-12)10-13(2)11-15-8-9-16-3/h10,12,14-15H,4-9,11H2,1-3H3/b13-10+
InChIKeyJQKPVSRMNYACKQ-JLHYYAGUSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine (PubChem CID 79337584) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine
PubChem CID79337584
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/C1CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-12-4-6-14(7-5-12)10-13(2)11-15-8-9-16-3/h10,12,14-15H,4-9,11H2,1-3H3/b13-10+
InChIKeyJQKPVSRMNYACKQ-JLHYYAGUSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine (CID 79337584) is (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine is COCCNC/C(C)=C/C1CCC(C)CC1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine?
The InChIKey is JQKPVSRMNYACKQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-4-6-14(7-5-12)10-13(2)11-15-8-9-16-3/h10,12,14-15H,4-9,11H2,1-3H3/b13-10+.
What are the key properties of (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-2-methyl-3-(4-methylcyclohexyl)prop-2-en-1-amine is sourced from PubChem (CID 79337584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).