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

C13H25N — CID 79592240

IUPAC4-(2-ethylcyclohexyl)pent-3-en-1-amine
SMILESCCC1CCCCC1C(C)=CCCN
InChIInChI=1S/C13H25N/c1-3-12-8-4-5-9-13(12)11(2)7-6-10-14/h7,12-13H,3-6,8-10,14H2,1-2H3
InChIKeyIACWJKLWRICBIT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds4

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

4-(2-ethylcyclohexyl)pent-3-en-1-amine (PubChem CID 79592240) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)pent-3-en-1-amine
PubChem CID79592240
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-(2-ethylcyclohexyl)pent-3-en-1-amine
SMILESCCC1CCCCC1C(C)=CCCN
InChIInChI=1S/C13H25N/c1-3-12-8-4-5-9-13(12)11(2)7-6-10-14/h7,12-13H,3-6,8-10,14H2,1-2H3
InChIKeyIACWJKLWRICBIT-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

4-cyclohexylpent-3-en-1-amine
CID 76996947
7-amino-1-(2-ethylcyclohexyl)heptan-1-one
CID 116551389
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
CID 160611346
CID 160611346
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
CID 116558390
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
cyclohexyl 5-amino-2-methylpent-2-enoate
CID 67259044
2-cyclohexylidene-1-(2-ethylcyclohexyl)ethanone
CID 103457998
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
3-(2-ethylcyclohexyl)sulfanylpropan-1-amine
CID 66219569

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)pent-3-en-1-amine?
The IUPAC name of 4-(2-ethylcyclohexyl)pent-3-en-1-amine (CID 79592240) is 4-(2-ethylcyclohexyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(2-ethylcyclohexyl)pent-3-en-1-amine?
The canonical SMILES for 4-(2-ethylcyclohexyl)pent-3-en-1-amine is CCC1CCCCC1C(C)=CCCN.
What is the InChIKey of 4-(2-ethylcyclohexyl)pent-3-en-1-amine?
The InChIKey is IACWJKLWRICBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-12-8-4-5-9-13(12)11(2)7-6-10-14/h7,12-13H,3-6,8-10,14H2,1-2H3.
What are the key properties of 4-(2-ethylcyclohexyl)pent-3-en-1-amine?
4-(2-ethylcyclohexyl)pent-3-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)pent-3-en-1-amine is sourced from PubChem (CID 79592240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).