1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine

C16H31NO — CID 104990860

IUPAC1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCC1CCC(C(N)CCC2CCCCO2)CC1
InChIInChI=1S/C16H31NO/c1-2-13-6-8-14(9-7-13)16(17)11-10-15-5-3-4-12-18-15/h13-16H,2-12,17H2,1H3
InChIKeyFDSIZAQCJAIEEH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.88
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine

1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 104990860) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID104990860
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCC1CCC(C(N)CCC2CCCCO2)CC1
InChIInChI=1S/C16H31NO/c1-2-13-6-8-14(9-7-13)16(17)11-10-15-5-3-4-12-18-15/h13-16H,2-12,17H2,1H3
InChIKeyFDSIZAQCJAIEEH-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1-(oxan-2-yl)nonan-3-amine
CID 115833397
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine (CID 104990860) is 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine is CCC1CCC(C(N)CCC2CCCCO2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is FDSIZAQCJAIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-13-6-8-14(9-7-13)16(17)11-10-15-5-3-4-12-18-15/h13-16H,2-12,17H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine?
1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 104990860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).