N-(3-aminopropyl)-N-propylhydroxylamine

C6H16N2O — CID 20527030

IUPACN-(3-aminopropyl)-N-propylhydroxylamine
SMILESCCCN(CCCN)O
InChIInChI=1S/C6H16N2O/c1-2-5-8(9)6-3-4-7/h9H,2-7H2,1H3
InChIKeyBZNKTGJCQNMDSL-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.10
Rot. Bonds5

About N-(3-aminopropyl)-N-propylhydroxylamine

N-(3-aminopropyl)-N-propylhydroxylamine (PubChem CID 20527030) has the molecular formula C6H16N2O and a molecular weight of 132.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propylhydroxylamine.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propylhydroxylamine
PubChem CID20527030
Molecular FormulaC6H16N2O
Molecular Weight132.20 g/mol
Exact Mass132.13
IUPAC NameN-(3-aminopropyl)-N-propylhydroxylamine
SMILESCCCN(CCCN)O
InChIInChI=1S/C6H16N2O/c1-2-5-8(9)6-3-4-7/h9H,2-7H2,1H3
InChIKeyBZNKTGJCQNMDSL-UHFFFAOYSA-N
XLogP0.10
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity59

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-N-propylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-N,N-dimethylpropan-1-amine N-oxide
CID 54151234
N-[3-(4-aminobutylamino)propyl]hydroxylamine
CID 19356099
Hydroxyspermidine
CID 87998915
N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine
CID 10443396
N-[3-(dimethylamino)propyl]hydroxylamine
CID 17933586
N-(3-aminopropyl)-N-ethylhydroxylamine
CID 20527046
N',N'-diethyl-N-methoxypropane-1,3-diamine
CID 21364273
N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 21396648
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;hydroxylamine
CID 21839173
N-ethylpropan-1-amine;hydroxylamine
CID 21940599
3-Aminopropyl-ethyl-dihydroxyazanium
CID 22712849
N,N-bis(3-aminopropyl)hydroxylamine
CID 23382955

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propylhydroxylamine?
The IUPAC name of N-(3-aminopropyl)-N-propylhydroxylamine (CID 20527030) is N-(3-aminopropyl)-N-propylhydroxylamine.
What is the SMILES notation for N-(3-aminopropyl)-N-propylhydroxylamine?
The canonical SMILES for N-(3-aminopropyl)-N-propylhydroxylamine is CCCN(CCCN)O.
What is the InChIKey of N-(3-aminopropyl)-N-propylhydroxylamine?
The InChIKey is BZNKTGJCQNMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-5-8(9)6-3-4-7/h9H,2-7H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-propylhydroxylamine?
N-(3-aminopropyl)-N-propylhydroxylamine has a molecular weight of 132.20 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propylhydroxylamine is sourced from PubChem (CID 20527030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).