2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine

C16H31NO — CID 116723611

IUPAC2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(C1CCCC(C)C1)C(OCC)C1CC1
InChIInChI=1S/C16H31NO/c1-4-17-15(14-8-6-7-12(3)11-14)16(18-5-2)13-9-10-13/h12-17H,4-11H2,1-3H3
InChIKeyOBIBEWXDJCIZBU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds7

About 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine

2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine (PubChem CID 116723611) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
PubChem CID116723611
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
SMILESCCNC(C1CCCC(C)C1)C(OCC)C1CC1
InChIInChI=1S/C16H31NO/c1-4-17-15(14-8-6-7-12(3)11-14)16(18-5-2)13-9-10-13/h12-17H,4-11H2,1-3H3
InChIKeyOBIBEWXDJCIZBU-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine (CID 116723611) is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine is CCNC(C1CCCC(C)C1)C(OCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is OBIBEWXDJCIZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-17-15(14-8-6-7-12(3)11-14)16(18-5-2)13-9-10-13/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine?
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116723611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).