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

C13H25N3O2 — CID 55227210

IUPAC2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCN(CC1CCOCC1)CC(NC1CC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-16(8-10-4-6-18-7-5-10)9-12(13(14)17)15-11-2-3-11/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyDOPFPDRMHPRTKK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.05
Rot. Bonds7

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

2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (PubChem CID 55227210) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
PubChem CID55227210
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
SMILESCN(CC1CCOCC1)CC(NC1CC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-16(8-10-4-6-18-7-5-10)9-12(13(14)17)15-11-2-3-11/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyDOPFPDRMHPRTKK-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid
CID 63711106
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81073752
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82743246
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 104752909
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The IUPAC name of 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide (CID 55227210) is 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is CN(CC1CCOCC1)CC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
The InChIKey is DOPFPDRMHPRTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16(8-10-4-6-18-7-5-10)9-12(13(14)17)15-11-2-3-11/h10-12,15H,2-9H2,1H3,(H2,14,17).
What are the key properties of 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide?
2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 55227210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).