N,N-bis(3-aminopropyl)octanamide;dihydrochloride

C14H33Cl2N3O — CID 134306237

IUPACN,N-bis(3-aminopropyl)octanamide;dihydrochloride
SMILESCCCCCCCC(=O)N(CCCN)CCCN.Cl.Cl
InChIInChI=1S/C14H31N3O.2ClH/c1-2-3-4-5-6-9-14(18)17(12-7-10-15)13-8-11-16;;/h2-13,15-16H2,1H3;2*1H
InChIKeyZLQPXYPRRIDRBD-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.72
Rot. Bonds12

About N,N-bis(3-aminopropyl)octanamide;dihydrochloride

N,N-bis(3-aminopropyl)octanamide;dihydrochloride (PubChem CID 134306237) has the molecular formula C14H33Cl2N3O and a molecular weight of 330.34 g/mol. Its IUPAC name is N,N-bis(3-aminopropyl)octanamide;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(3-aminopropyl)octanamide;dihydrochloride
PubChem CID134306237
Molecular FormulaC14H33Cl2N3O
Molecular Weight330.34 g/mol
Exact Mass329.20
IUPAC NameN,N-bis(3-aminopropyl)octanamide;dihydrochloride
SMILESCCCCCCCC(=O)N(CCCN)CCCN.Cl.Cl
InChIInChI=1S/C14H31N3O.2ClH/c1-2-3-4-5-6-9-14(18)17(12-7-10-15)13-8-11-16;;/h2-13,15-16H2,1H3;2*1H
InChIKeyZLQPXYPRRIDRBD-UHFFFAOYSA-N
XLogP2.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
N-butyl-N-octyldecanamide
CID 18913402
N',N'-dioctylhexanediamide
CID 53437404
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-aminopropyl)octanamide;dihydrochloride?
The IUPAC name of N,N-bis(3-aminopropyl)octanamide;dihydrochloride (CID 134306237) is N,N-bis(3-aminopropyl)octanamide;dihydrochloride.
What is the SMILES notation for N,N-bis(3-aminopropyl)octanamide;dihydrochloride?
The canonical SMILES for N,N-bis(3-aminopropyl)octanamide;dihydrochloride is CCCCCCCC(=O)N(CCCN)CCCN.Cl.Cl.
What is the InChIKey of N,N-bis(3-aminopropyl)octanamide;dihydrochloride?
The InChIKey is ZLQPXYPRRIDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O.2ClH/c1-2-3-4-5-6-9-14(18)17(12-7-10-15)13-8-11-16;;/h2-13,15-16H2,1H3;2*1H.
What are the key properties of N,N-bis(3-aminopropyl)octanamide;dihydrochloride?
N,N-bis(3-aminopropyl)octanamide;dihydrochloride has a molecular weight of 330.34 g/mol, XLogP of 2.72, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-aminopropyl)octanamide;dihydrochloride is sourced from PubChem (CID 134306237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).