1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine

C13H25N — CID 79178186

IUPAC1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine
SMILESCCC1CCC(C(N)C=C(C)C)CC1
InChIInChI=1S/C13H25N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h9,11-13H,4-8,14H2,1-3H3
InChIKeyCDFIHFQQGMZNNZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine

1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine (PubChem CID 79178186) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine
PubChem CID79178186
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine
SMILESCCC1CCC(C(N)C=C(C)C)CC1
InChIInChI=1S/C13H25N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h9,11-13H,4-8,14H2,1-3H3
InChIKeyCDFIHFQQGMZNNZ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.50
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

2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
CID 105004863
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
ethanamine;ethylcyclopropane
CID 70018487
3-amino-2-(4-ethylcyclohexyl)propan-1-ol
CID 165446079
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822
acetic acid;ethylcyclopropane
CID 175213909
ethenol;ethylcyclopropane
CID 18331953

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine (CID 79178186) is 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine is CCC1CCC(C(N)C=C(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
The InChIKey is CDFIHFQQGMZNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11-5-7-12(8-6-11)13(14)9-10(2)3/h9,11-13H,4-8,14H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine?
1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 79178186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).