N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine

C9H20N2O — CID 96645037

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CN(C)CCO1
InChIInChI=1S/C9H20N2O/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyFTRWYUBPJXBJAX-VIFPVBQESA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine

N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine (PubChem CID 96645037) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
PubChem CID96645037
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1CN(C)CCO1
InChIInChI=1S/C9H20N2O/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyFTRWYUBPJXBJAX-VIFPVBQESA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 97045036
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
(2S)-4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pentan-2-amine
CID 97045041
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356159
(1S)-1-cyclohexyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81384591
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
CID 115889192

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine (CID 96645037) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine is CC(C)NC[C@H]1CN(C)CCO1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
The InChIKey is FTRWYUBPJXBJAX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)10-6-9-7-11(3)4-5-12-9/h8-10H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 96645037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).