1-[3-aminopropyl(propan-2-yl)amino]propan-2-one

C9H20N2O — CID 89029623

IUPAC1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)11(6-4-5-10)7-9(3)12/h8H,4-7,10H2,1-3H3
InChIKeyQFOGUEBCRDYYCM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.63
Rot. Bonds6

About 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one

1-[3-aminopropyl(propan-2-yl)amino]propan-2-one (PubChem CID 89029623) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
PubChem CID89029623
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
SMILESCC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C9H20N2O/c1-8(2)11(6-4-5-10)7-9(3)12/h8H,4-7,10H2,1-3H3
InChIKeyQFOGUEBCRDYYCM-UHFFFAOYSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one?
The IUPAC name of 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one (CID 89029623) is 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one is CC(=O)CN(CCCN)C(C)C.
What is the InChIKey of 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one?
The InChIKey is QFOGUEBCRDYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11(6-4-5-10)7-9(3)12/h8H,4-7,10H2,1-3H3.
What are the key properties of 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one?
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(propan-2-yl)amino]propan-2-one is sourced from PubChem (CID 89029623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).