1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine

C16H31N — CID 79177299

IUPAC1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H31N/c1-5-10-17-16(11-13(3)4)15-9-7-8-14(6-2)12-15/h11,14-17H,5-10,12H2,1-4H3
InChIKeyHGZBGWWOTKJSIY-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.54
Rot. Bonds6

About 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine

1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine (PubChem CID 79177299) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
PubChem CID79177299
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
SMILESCCCNC(C=C(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H31N/c1-5-10-17-16(11-13(3)4)15-9-7-8-14(6-2)12-15/h11,14-17H,5-10,12H2,1-4H3
InChIKeyHGZBGWWOTKJSIY-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.54
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

N-ethyl-1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-amine
CID 79180441
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
CID 64533810
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
1-(1,1-dioxothian-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 105004857
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
1-(3-ethylcyclohexyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415766

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine (CID 79177299) is 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine is CCCNC(C=C(C)C)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine?
The InChIKey is HGZBGWWOTKJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-10-17-16(11-13(3)4)15-9-7-8-14(6-2)12-15/h11,14-17H,5-10,12H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine?
1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine is sourced from PubChem (CID 79177299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).