N-(3-aminobutyl)-N',N'-diethylpentanediamide

C13H27N3O2 — CID 119495804

IUPACN-(3-aminobutyl)-N',N'-diethylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NCCC(C)N
InChIInChI=1S/C13H27N3O2/c1-4-16(5-2)13(18)8-6-7-12(17)15-10-9-11(3)14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyONHRTWIVTRZNDK-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.88
Rot. Bonds9

About N-(3-aminobutyl)-N',N'-diethylpentanediamide

N-(3-aminobutyl)-N',N'-diethylpentanediamide (PubChem CID 119495804) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-N',N'-diethylpentanediamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-N',N'-diethylpentanediamide
PubChem CID119495804
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-aminobutyl)-N',N'-diethylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NCCC(C)N
InChIInChI=1S/C13H27N3O2/c1-4-16(5-2)13(18)8-6-7-12(17)15-10-9-11(3)14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyONHRTWIVTRZNDK-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,N-diethylhexanamide
CID 82848451
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119495228
(4R)-4-amino-N-propylpentanamide
CID 146234117
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-N',N'-diethylpentanediamide?
The IUPAC name of N-(3-aminobutyl)-N',N'-diethylpentanediamide (CID 119495804) is N-(3-aminobutyl)-N',N'-diethylpentanediamide.
What is the SMILES notation for N-(3-aminobutyl)-N',N'-diethylpentanediamide?
The canonical SMILES for N-(3-aminobutyl)-N',N'-diethylpentanediamide is CCN(CC)C(=O)CCCC(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-N',N'-diethylpentanediamide?
The InChIKey is ONHRTWIVTRZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16(5-2)13(18)8-6-7-12(17)15-10-9-11(3)14/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-aminobutyl)-N',N'-diethylpentanediamide?
N-(3-aminobutyl)-N',N'-diethylpentanediamide has a molecular weight of 257.38 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-N',N'-diethylpentanediamide is sourced from PubChem (CID 119495804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).