N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide

C14H30N4O2 — CID 167446566

IUPACN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide
SMILESNCCCNCCCCN(CCCN)C(=O)CCC=O
InChIInChI=1S/C14H30N4O2/c15-7-4-10-17-9-1-2-11-18(12-5-8-16)14(20)6-3-13-19/h13,17H,1-12,15-16H2
InChIKeyBVQQNAIBVYPOFC-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.14
Rot. Bonds14

About N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide

N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide (PubChem CID 167446566) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide
PubChem CID167446566
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC NameN-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide
SMILESNCCCNCCCCN(CCCN)C(=O)CCC=O
InChIInChI=1S/C14H30N4O2/c15-7-4-10-17-9-1-2-11-18(12-5-8-16)14(20)6-3-13-19/h13,17H,1-12,15-16H2
InChIKeyBVQQNAIBVYPOFC-UHFFFAOYSA-N
XLogP-0.14
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-[5-(3-aminopropylamino)pentyl]acetamide
CID 24885815
N,N-dioctadecyl-4-oxobutanamide
CID 56607761
4-(3-aminopropylamino)butanal
CID 19913541
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N,N-didecyl-8-(octylamino)octanamide
CID 172581253
2-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoylamino]-N,N-dioctylacetamide
CID 90923838
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
N-[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl]-N-[4-[3-[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl-hept-4-enoylamino]propyl-hept-4-enoylamino]butyl]hept-4-enamide
CID 90818298
2-amino-5-[(4-amino-4-carboxybutanoyl)-[4-(3-aminopropylamino)butyl]amino]-5-oxopentanoic acid
CID 175384672
N'-(3-aminopropyl)butane-1,4-diamine;but-2-enedioic acid
CID 173087831
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide?
The IUPAC name of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide (CID 167446566) is N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide is NCCCNCCCCN(CCCN)C(=O)CCC=O.
What is the InChIKey of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide?
The InChIKey is BVQQNAIBVYPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c15-7-4-10-17-9-1-2-11-18(12-5-8-16)14(20)6-3-13-19/h13,17H,1-12,15-16H2.
What are the key properties of N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide?
N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide has a molecular weight of 286.42 g/mol, XLogP of -0.14, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide is sourced from PubChem (CID 167446566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).