3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide

C12H26N4O2 — CID 54988932

IUPAC3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
SMILESCC(C)N(CCC(=O)N(C)CCCN)CC(N)=O
InChIInChI=1S/C12H26N4O2/c1-10(2)16(9-11(14)17)8-5-12(18)15(3)7-4-6-13/h10H,4-9,13H2,1-3H3,(H2,14,17)
InChIKeyPKSHJNQBMQTOHV-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.62
Rot. Bonds9

About 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide

3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide (PubChem CID 54988932) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
PubChem CID54988932
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
SMILESCC(C)N(CCC(=O)N(C)CCCN)CC(N)=O
InChIInChI=1S/C12H26N4O2/c1-10(2)16(9-11(14)17)8-5-12(18)15(3)7-4-6-13/h10H,4-9,13H2,1-3H3,(H2,14,17)
InChIKeyPKSHJNQBMQTOHV-UHFFFAOYSA-N
XLogP-0.62
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide (CID 54988932) is 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide is CC(C)N(CCC(=O)N(C)CCCN)CC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide?
The InChIKey is PKSHJNQBMQTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-10(2)16(9-11(14)17)8-5-12(18)15(3)7-4-6-13/h10H,4-9,13H2,1-3H3,(H2,14,17).
What are the key properties of 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide?
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide has a molecular weight of 258.37 g/mol, XLogP of -0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide is sourced from PubChem (CID 54988932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).