2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine

C17H33NO — CID 103168792

IUPAC2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)C1CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-17(15-8-6-13(3)7-9-15)12-14-10-16(11-14)19-5-2/h13-18H,4-12H2,1-3H3
InChIKeySDTDSEZGKMRROK-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine

2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine (PubChem CID 103168792) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
PubChem CID103168792
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
SMILESCCNC(CC1CC(OCC)C1)C1CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-17(15-8-6-13(3)7-9-15)12-14-10-16(11-14)19-5-2/h13-18H,4-12H2,1-3H3
InChIKeySDTDSEZGKMRROK-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-Decoxycyclohexyl)-2-fluoro-3-octylpiperidine
CID 140413961
2-Fluoro-6-(4-hexoxycyclohexyl)-3-octylpiperidine
CID 140413965
3-Decyl-2-fluoro-6-(4-octoxycyclohexyl)piperidine
CID 140413970
2-(3-Fluoro-4-octoxycyclohexyl)-5-heptylpiperidine
CID 140674225
1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 103168853
1-(3-ethoxycyclobutyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 103168856
1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 103169304
1-(3-ethoxycyclobutyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 103169308
1-(4,4-difluorocyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 105156604
1-(4,4-difluorocyclohexyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 105156662
N-methyl-4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105156752
N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 20516715

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine (CID 103168792) is 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine is CCNC(CC1CC(OCC)C1)C1CCC(C)CC1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is SDTDSEZGKMRROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-18-17(15-8-6-13(3)7-9-15)12-14-10-16(11-14)19-5-2/h13-18H,4-12H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine?
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 103168792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).