1,2-dicyclohexyl-2-ethoxy-N-methylethanamine

C17H33NO — CID 116772161

IUPAC1,2-dicyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h14-18H,3-13H2,1-2H3
InChIKeyLCSCZVNBUROTGP-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine

1,2-dicyclohexyl-2-ethoxy-N-methylethanamine (PubChem CID 116772161) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1,2-dicyclohexyl-2-ethoxy-N-methylethanamine
PubChem CID116772161
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1,2-dicyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h14-18H,3-13H2,1-2H3
InChIKeyLCSCZVNBUROTGP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-3-hexoxy-6-[4-(4-pentylcyclohexyl)cyclohexyl]piperidine
CID 140413956
1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105168239
N-methyl-2-propan-2-yloxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168281
1-cyclohexyl-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 113448676
2-[(3,3-difluorocyclohexyl)methoxy]-N-methylcyclohexan-1-amine
CID 114224277
1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine
CID 114224936
1-(3,3-difluorocyclohexyl)-3-ethoxy-N-methylpentan-2-amine
CID 114224938
Cyclohexaneethanamine, I(2)-methoxy-I+/--nonyl-
CID 116771184
1-cyclohexyl-5,5,5-trifluoro-1-methoxy-N-methylpentan-2-amine
CID 116771494
1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-methylhexan-2-amine
CID 116771522
1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine
CID 116771868
1-cyclohexyl-1-ethoxy-5,5,5-trifluoro-N-methylpentan-2-amine
CID 116772219

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine?
The IUPAC name of 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine (CID 116772161) is 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine is CCOC(C1CCCCC1)C(NC)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine?
The InChIKey is LCSCZVNBUROTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h14-18H,3-13H2,1-2H3.
What are the key properties of 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine?
1,2-dicyclohexyl-2-ethoxy-N-methylethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 116772161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).