3-amino-7-(2-oxopropylamino)heptan-2-one

C10H20N2O2 — CID 123521063

IUPAC3-amino-7-(2-oxopropylamino)heptan-2-one
SMILESCC(=O)CNCCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-8(13)7-12-6-4-3-5-10(11)9(2)14/h10,12H,3-7,11H2,1-2H3
InChIKeyYYVUQLJBQBOROV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.25
Rot. Bonds8

About 3-amino-7-(2-oxopropylamino)heptan-2-one

3-amino-7-(2-oxopropylamino)heptan-2-one (PubChem CID 123521063) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-7-(2-oxopropylamino)heptan-2-one.

Molecular Properties

Compound Name3-amino-7-(2-oxopropylamino)heptan-2-one
PubChem CID123521063
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-7-(2-oxopropylamino)heptan-2-one
SMILESCC(=O)CNCCCCC(N)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-8(13)7-12-6-4-3-5-10(11)9(2)14/h10,12H,3-7,11H2,1-2H3
InChIKeyYYVUQLJBQBOROV-UHFFFAOYSA-N
XLogP0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-amino-6-(hydrazinylmethylamino)hexan-2-one
CID 155176532
3-amino-7-(iodoiodanuidylamino)heptan-2-one
CID 176943999
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
(3R)-3,7-diamino-1-(2-oxopropylamino)heptan-2-one
CID 166782161
3-aminooctan-2-one;hydrochloride
CID 13478908
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
CID 160622179
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(2-oxopropylamino)heptan-2-one?
The IUPAC name of 3-amino-7-(2-oxopropylamino)heptan-2-one (CID 123521063) is 3-amino-7-(2-oxopropylamino)heptan-2-one.
What is the SMILES notation for 3-amino-7-(2-oxopropylamino)heptan-2-one?
The canonical SMILES for 3-amino-7-(2-oxopropylamino)heptan-2-one is CC(=O)CNCCCCC(N)C(C)=O.
What is the InChIKey of 3-amino-7-(2-oxopropylamino)heptan-2-one?
The InChIKey is YYVUQLJBQBOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)7-12-6-4-3-5-10(11)9(2)14/h10,12H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-7-(2-oxopropylamino)heptan-2-one?
3-amino-7-(2-oxopropylamino)heptan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(2-oxopropylamino)heptan-2-one is sourced from PubChem (CID 123521063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).