2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine

C13H28N2O — CID 62949677

IUPAC2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCC1CN(C(CN)CC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHPPGOHIESJRATM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine

2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine (PubChem CID 62949677) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
PubChem CID62949677
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCC1CN(C(CN)CC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHPPGOHIESJRATM-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-morpholin-4-ylpentan-1-amine
CID 62951910
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 104575361
2-(2-ethyl-1,4-oxazepan-4-yl)-4-ethylsulfanylbutan-1-amine
CID 114218327
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
CID 64709975
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylpentan-1-amine
CID 79188396
2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103
2-(2-ethylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61353367
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 83054455

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine (CID 62949677) is 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine is CCC1CN(C(CN)CC(C)(C)C)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is HPPGOHIESJRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 62949677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).