1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one

C13H28N4O2 — CID 15689284

IUPAC1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
SMILESNCC(=O)CNCCCCCCCNCC(=O)CN
InChIInChI=1S/C13H28N4O2/c14-8-12(18)10-16-6-4-2-1-3-5-7-17-11-13(19)9-15/h16-17H,1-11,14-15H2
InChIKeyJAXBECHNKMUALI-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.83
Rot. Bonds14

About 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one

1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one (PubChem CID 15689284) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
PubChem CID15689284
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one
SMILESNCC(=O)CNCCCCCCCNCC(=O)CN
InChIInChI=1S/C13H28N4O2/c14-8-12(18)10-16-6-4-2-1-3-5-7-17-11-13(19)9-15/h16-17H,1-11,14-15H2
InChIKeyJAXBECHNKMUALI-UHFFFAOYSA-N
XLogP-0.83
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
1-(6-aminohexylamino)-3-hydroxypropan-2-one;methane
CID 158073129
2-amino-N-[2-[(3-amino-2-oxopropyl)amino]ethyl]acetamide
CID 118189326
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
CID 87629074
2-(3-aminopropylamino)acetamide
CID 59908103
1-(propylamino)tetradecan-2-one
CID 116562895
acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
CID 174426239
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
1,3-diamino-8-[(4,6-diamino-5-oxohexyl)amino]octan-2-one
CID 57296683
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one?
The IUPAC name of 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one (CID 15689284) is 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one.
What is the SMILES notation for 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one?
The canonical SMILES for 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one is NCC(=O)CNCCCCCCCNCC(=O)CN.
What is the InChIKey of 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one?
The InChIKey is JAXBECHNKMUALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c14-8-12(18)10-16-6-4-2-1-3-5-7-17-11-13(19)9-15/h16-17H,1-11,14-15H2.
What are the key properties of 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one?
1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one has a molecular weight of 272.39 g/mol, XLogP of -0.83, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[7-[(3-amino-2-oxopropyl)amino]heptylamino]propan-2-one is sourced from PubChem (CID 15689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).