1-(2-ethylcyclohexyl)-2-propoxyethanamine

C13H27NO — CID 63862730

IUPAC1-(2-ethylcyclohexyl)-2-propoxyethanamine
SMILESCCCOCC(N)C1CCCCC1CC
InChIInChI=1S/C13H27NO/c1-3-9-15-10-13(14)12-8-6-5-7-11(12)4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyOQINBLNZYUJJOR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-2-propoxyethanamine

1-(2-ethylcyclohexyl)-2-propoxyethanamine (PubChem CID 63862730) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-propoxyethanamine
PubChem CID63862730
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-ethylcyclohexyl)-2-propoxyethanamine
SMILESCCCOCC(N)C1CCCCC1CC
InChIInChI=1S/C13H27NO/c1-3-9-15-10-13(14)12-8-6-5-7-11(12)4-2/h11-13H,3-10,14H2,1-2H3
InChIKeyOQINBLNZYUJJOR-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
1-(2-ethylcyclohexyl)heptan-1-amine
CID 115862692
2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
CID 105151113
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133043
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
4-cyclopentyl-1-propoxybutan-2-amine
CID 105008552
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-propoxyethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-propoxyethanamine (CID 63862730) is 1-(2-ethylcyclohexyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-propoxyethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-propoxyethanamine is CCCOCC(N)C1CCCCC1CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-propoxyethanamine?
The InChIKey is OQINBLNZYUJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-9-15-10-13(14)12-8-6-5-7-11(12)4-2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-propoxyethanamine?
1-(2-ethylcyclohexyl)-2-propoxyethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-propoxyethanamine is sourced from PubChem (CID 63862730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).