ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine

C12H28N2O — CID 142596245

IUPACethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
SMILESCC.CCC(C)(C)NCC1COCCN1
InChIInChI=1S/C10H22N2O.C2H6/c1-4-10(2,3)12-7-9-8-13-6-5-11-9;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3
InChIKeySDUVKMOPEMOFPS-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.78
Rot. Bonds4

About ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine

ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine (PubChem CID 142596245) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
PubChem CID142596245
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
SMILESCC.CCC(C)(C)NCC1COCCN1
InChIInChI=1S/C10H22N2O.C2H6/c1-4-10(2,3)12-7-9-8-13-6-5-11-9;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3
InChIKeySDUVKMOPEMOFPS-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(morpholin-3-ylmethylamino)methanone;yttrium
CID 153398938
2,2-dimethyl-N-(2-morpholin-3-ylethyl)butan-1-amine
CID 103462305
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
3-(bromomethyl)morpholine
CID 70577689
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115237984
2-methyl-2-(1-methylpiperidin-3-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238229
2-(4-fluorophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238209
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 107140363
2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
3-(ethylsulfonylmethyl)morpholine
CID 84720172

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine?
The IUPAC name of ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine (CID 142596245) is ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine?
The canonical SMILES for ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine is CC.CCC(C)(C)NCC1COCCN1.
What is the InChIKey of ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine?
The InChIKey is SDUVKMOPEMOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C2H6/c1-4-10(2,3)12-7-9-8-13-6-5-11-9;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine?
ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 142596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).