(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone

C14H26N2O2 — CID 55114924

IUPAC(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCOCC2(C)C)CCC1N
InChIInChI=1S/C14H26N2O2/c1-10-8-11(4-5-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyWPYORQNLOKDUDV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds1

About (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone

(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 55114924) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID55114924
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1CC(C(=O)N2CCOCC2(C)C)CCC1N
InChIInChI=1S/C14H26N2O2/c1-10-8-11(4-5-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h10-12H,4-9,15H2,1-3H3
InChIKeyWPYORQNLOKDUDV-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 55114924) is (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1CC(C(=O)N2CCOCC2(C)C)CCC1N.
What is the InChIKey of (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is WPYORQNLOKDUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-8-11(4-5-12(10)15)13(17)16-6-7-18-9-14(16,2)3/h10-12H,4-9,15H2,1-3H3.
What are the key properties of (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 55114924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).