2-[3-(dimethylamino)propyl-methylamino]propanamide

C9H21N3O — CID 63698900

IUPAC2-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCCN(C)C
InChIInChI=1S/C9H21N3O/c1-8(9(10)13)12(4)7-5-6-11(2)3/h8H,5-7H2,1-4H3,(H2,10,13)
InChIKeyUXKLUMZLEGMYLH-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.26
Rot. Bonds6

About 2-[3-(dimethylamino)propyl-methylamino]propanamide

2-[3-(dimethylamino)propyl-methylamino]propanamide (PubChem CID 63698900) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]propanamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]propanamide
PubChem CID63698900
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCCN(C)C
InChIInChI=1S/C9H21N3O/c1-8(9(10)13)12(4)7-5-6-11(2)3/h8H,5-7H2,1-4H3,(H2,10,13)
InChIKeyUXKLUMZLEGMYLH-UHFFFAOYSA-N
XLogP-0.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]propanamide
CID 60644986
ethane;2-[ethyl(methyl)amino]propanamide
CID 176567778
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693223
4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 64694003
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]propanamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]propanamide (CID 63698900) is 2-[3-(dimethylamino)propyl-methylamino]propanamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]propanamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]propanamide is CC(C(N)=O)N(C)CCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]propanamide?
The InChIKey is UXKLUMZLEGMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(9(10)13)12(4)7-5-6-11(2)3/h8H,5-7H2,1-4H3,(H2,10,13).
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]propanamide?
2-[3-(dimethylamino)propyl-methylamino]propanamide has a molecular weight of 187.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]propanamide is sourced from PubChem (CID 63698900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).