(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one

C15H29N3O2 — CID 95302737

IUPAC(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
SMILESC[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-13(15(19)18-7-5-3-4-6-8-18)16-11-14-12-17(2)9-10-20-14/h13-14,16H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyDKOAXQBYAZQEAZ-KGLIPLIRSA-N
MW283.42 g/mol
LogP0.70
Rot. Bonds4

About (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one

(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one (PubChem CID 95302737) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
PubChem CID95302737
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
SMILESC[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H29N3O2/c1-13(15(19)18-7-5-3-4-6-8-18)16-11-14-12-17(2)9-10-20-14/h13-14,16H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyDKOAXQBYAZQEAZ-KGLIPLIRSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one with MolForge

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Related Compounds

2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 98758976
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-methyl-3-[(4-methylmorpholin-2-yl)methylamino]butanamide
CID 115889192
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 79082174
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
CID 1439822
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
(1S)-1-cyclohexyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81384591

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one?
The IUPAC name of (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one (CID 95302737) is (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one?
The canonical SMILES for (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one is C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCCCCC1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one?
The InChIKey is DKOAXQBYAZQEAZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(15(19)18-7-5-3-4-6-8-18)16-11-14-12-17(2)9-10-20-14/h13-14,16H,3-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one?
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one is sourced from PubChem (CID 95302737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).