N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine

C14H27N — CID 153355615

IUPACN-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine
SMILESCCC(=CNCCC1CCCCC1)CC
InChIInChI=1S/C14H27N/c1-3-13(4-2)12-15-11-10-14-8-6-5-7-9-14/h12,14-15H,3-11H2,1-2H3
InChIKeyHDANGAPAVNHKJR-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.25
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine

N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine (PubChem CID 153355615) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine
PubChem CID153355615
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine
SMILESCCC(=CNCCC1CCCCC1)CC
InChIInChI=1S/C14H27N/c1-3-13(4-2)12-15-11-10-14-8-6-5-7-9-14/h12,14-15H,3-11H2,1-2H3
InChIKeyHDANGAPAVNHKJR-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(2-cyclobutylethyl)formamide
CID 87467337
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
butylcyclohexane;N-methylmethanamine
CID 174941558
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N-(2-cyclohexylethyl)prop-1-en-2-amine
CID 143355441
4-(2-cyclohexylethylamino)-2-ethylbut-2-enoic acid
CID 103240089
propylcyclotetradecane
CID 90991550
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
2-(2-cycloheptylethylamino)ethanol
CID 22723010
N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide
CID 97228051

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine (CID 153355615) is N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine is CCC(=CNCCC1CCCCC1)CC.
What is the InChIKey of N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine?
The InChIKey is HDANGAPAVNHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-13(4-2)12-15-11-10-14-8-6-5-7-9-14/h12,14-15H,3-11H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine?
N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine is sourced from PubChem (CID 153355615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).