N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine

C17H34N2O — CID 79663586

IUPACN-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H34N2O/c1-5-18-17(15-8-6-14(4)7-9-15)16-12-19(13(2)3)10-11-20-16/h13-18H,5-12H2,1-4H3
InChIKeyFHETXEJVUKWUJN-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine (PubChem CID 79663586) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
PubChem CID79663586
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H34N2O/c1-5-18-17(15-8-6-14(4)7-9-15)16-12-19(13(2)3)10-11-20-16/h13-18H,5-12H2,1-4H3
InChIKeyFHETXEJVUKWUJN-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine (CID 79663586) is N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine is CCNC(C1CCC(C)CC1)C1CN(C(C)C)CCO1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is FHETXEJVUKWUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-18-17(15-8-6-14(4)7-9-15)16-12-19(13(2)3)10-11-20-16/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 79663586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).