N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine

C13H28N2O — CID 62559338

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)12(3)14-6-7-15-8-9-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyQCQAWXJKLUKGMC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 62559338) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
PubChem CID62559338
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)12(3)14-6-7-15-8-9-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyQCQAWXJKLUKGMC-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 62561005
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
CID 119868946
2-(2,2-dimethylmorpholin-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 62561390
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;yttrium
CID 162684002
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 63163464
1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-amine
CID 43592748
3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119868894
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 62570408
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868921

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine (CID 62559338) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCN1CCOC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is QCQAWXJKLUKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)12(3)14-6-7-15-8-9-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 62559338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).