2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide

C11H23N3O2 — CID 63711617

IUPAC2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCNC(CN(C)CC1CCOCC1)C(N)=O
InChIInChI=1S/C11H23N3O2/c1-13-10(11(12)15)8-14(2)7-9-3-5-16-6-4-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyMWRYRSOWTCFVGD-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.58
Rot. Bonds6

About 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide

2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (PubChem CID 63711617) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
PubChem CID63711617
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCNC(CN(C)CC1CCOCC1)C(N)=O
InChIInChI=1S/C11H23N3O2/c1-13-10(11(12)15)8-14(2)7-9-3-5-16-6-4-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyMWRYRSOWTCFVGD-UHFFFAOYSA-N
XLogP-0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
2-[1-(oxan-4-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103768071
2-(oxan-4-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115599261
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
N-[(2R)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071869
N-[(2S)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071870
4-(Propylamino)oxane-4-carboxamide
CID 60796528
2-{[(Oxan-4-yl)methyl]amino}acetamide
CID 62386032
2-(Oxan-4-ylmethylamino)propanamide
CID 62386036
3-(Oxan-4-ylmethylamino)propanamide
CID 62386217
2-Methyl-2-(oxan-4-ylmethylamino)propanamide
CID 62386772
(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 63705806

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The IUPAC name of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (CID 63711617) is 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.
What is the SMILES notation for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The canonical SMILES for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is CNC(CN(C)CC1CCOCC1)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The InChIKey is MWRYRSOWTCFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13-10(11(12)15)8-14(2)7-9-3-5-16-6-4-9/h9-10,13H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide has a molecular weight of 229.32 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 63711617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).