3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)

C15H35N3O2 — CID 145273853

IUPAC3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C7H15N3O2.2C4H10/c1-10(4-2-6(8)11)5-3-7(9)12;2*1-4(2)3/h2-5H2,1H3,(H2,8,11)(H2,9,12);2*4H,1-3H3
InChIKeyVYPYBRLVAILKCN-UHFFFAOYSA-N
MW289.46 g/mol
LogP1.99
Rot. Bonds6

About 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)

3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) (PubChem CID 145273853) has the molecular formula C15H35N3O2 and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane).

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
PubChem CID145273853
Molecular FormulaC15H35N3O2
Molecular Weight289.46 g/mol
Exact Mass289.27
IUPAC Name3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C7H15N3O2.2C4H10/c1-10(4-2-6(8)11)5-3-7(9)12;2*1-4(2)3/h2-5H2,1H3,(H2,8,11)(H2,9,12);2*4H,1-3H3
InChIKeyVYPYBRLVAILKCN-UHFFFAOYSA-N
XLogP1.99
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(prop-2-ynyl)amino]propanamide
CID 131086259
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
hexanediamide;propane-1,2-diol
CID 175159738
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581
3-[bis[3-(dimethylamino)propyl]amino]propanamide
CID 3097429
3-(difluoroamino)propanamide
CID 22154880
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
5,5-dimethylhexanamide;2-methylpropane
CID 161490551
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) (CID 145273853) is 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane).
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) is CC(C)C.CC(C)C.CN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)?
The InChIKey is VYPYBRLVAILKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.2C4H10/c1-10(4-2-6(8)11)5-3-7(9)12;2*1-4(2)3/h2-5H2,1H3,(H2,8,11)(H2,9,12);2*4H,1-3H3.
What are the key properties of 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)?
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) has a molecular weight of 289.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane) is sourced from PubChem (CID 145273853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).