2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine

C12H26N2O — CID 97045075

IUPAC2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
SMILESCCC(CC)CNC[C@H]1CN(C)CCO1
InChIInChI=1S/C12H26N2O/c1-4-11(5-2)8-13-9-12-10-14(3)6-7-15-12/h11-13H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyYFBDNLCAAKULLL-LBPRGKRZSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine

2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine (PubChem CID 97045075) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
PubChem CID97045075
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
SMILESCCC(CC)CNC[C@H]1CN(C)CCO1
InChIInChI=1S/C12H26N2O/c1-4-11(5-2)8-13-9-12-10-14(3)6-7-15-12/h11-13H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyYFBDNLCAAKULLL-LBPRGKRZSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
1-(2-ethylbutyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111891427
1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 78945365
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
CID 103255442
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[(1-methylcyclopropyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 107166209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine (CID 97045075) is 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine is CCC(CC)CNC[C@H]1CN(C)CCO1.
What is the InChIKey of 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine?
The InChIKey is YFBDNLCAAKULLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(5-2)8-13-9-12-10-14(3)6-7-15-12/h11-13H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine?
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 97045075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).