N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine

C15H29N — CID 79180441

IUPACN-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CCCC(CC)C1
InChIInChI=1S/C15H29N/c1-5-13-8-7-9-14(11-13)15(16-6-2)10-12(3)4/h10,13-16H,5-9,11H2,1-4H3
InChIKeyMCWAHXLWFQGLNC-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds5

About N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine

N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine (PubChem CID 79180441) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
PubChem CID79180441
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CCCC(CC)C1
InChIInChI=1S/C15H29N/c1-5-13-8-7-9-14(11-13)15(16-6-2)10-12(3)4/h10,13-16H,5-9,11H2,1-4H3
InChIKeyMCWAHXLWFQGLNC-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79177299
N-ethyl-3-methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178613
1-cyclohexyl-N-ethyl-4-methylpent-3-en-2-amine
CID 105004573
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992333
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-[(3-ethylcyclohexyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104992419
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
3-ethoxy-N-ethyl-1-(3-ethylcyclohexyl)propan-1-amine
CID 105156239
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine (CID 79180441) is N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine is CCNC(C=C(C)C)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The InChIKey is MCWAHXLWFQGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-13-8-7-9-14(11-13)15(16-6-2)10-12(3)4/h10,13-16H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 79180441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).