N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide

C13H30N4O — CID 154594320

IUPACN-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNCCCNCCCN
InChIInChI=1S/C13H30N4O/c1-12(2)13(18)17-11-5-10-16-9-4-8-15-7-3-6-14/h12,15-16H,3-11,14H2,1-2H3,(H,17,18)
InChIKeyFYSFOADJDFOTHX-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.07
Rot. Bonds12

About N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide

N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide (PubChem CID 154594320) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
PubChem CID154594320
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC NameN-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNCCCNCCCN
InChIInChI=1S/C13H30N4O/c1-12(2)13(18)17-11-5-10-16-9-4-8-15-7-3-6-14/h12,15-16H,3-11,14H2,1-2H3,(H,17,18)
InChIKeyFYSFOADJDFOTHX-UHFFFAOYSA-N
XLogP0.07
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide (CID 154594320) is N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide is CC(C)C(=O)NCCCNCCCNCCCN.
What is the InChIKey of N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide?
The InChIKey is FYSFOADJDFOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-12(2)13(18)17-11-5-10-16-9-4-8-15-7-3-6-14/h12,15-16H,3-11,14H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide?
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 0.07, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide is sourced from PubChem (CID 154594320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).