N-(2-aminoethyl)hydroxylamine;butane

C6H18N2O — CID 22159511

IUPACN-(2-aminoethyl)hydroxylamine;butane
SMILESCCCC.NCCNO
InChIInChI=1S/C4H10.C2H8N2O/c1-3-4-2;3-1-2-4-5/h3-4H2,1-2H3;4-5H,1-3H2
InChIKeyRUUZXGPNEOUREJ-UHFFFAOYSA-N
MW134.22 g/mol
LogP0.73
Rot. Bonds3

About N-(2-aminoethyl)hydroxylamine;butane

N-(2-aminoethyl)hydroxylamine;butane (PubChem CID 22159511) has the molecular formula C6H18N2O and a molecular weight of 134.22 g/mol. Its IUPAC name is N-(2-aminoethyl)hydroxylamine;butane.

Molecular Properties

Compound NameN-(2-aminoethyl)hydroxylamine;butane
PubChem CID22159511
Molecular FormulaC6H18N2O
Molecular Weight134.22 g/mol
Exact Mass134.14
IUPAC NameN-(2-aminoethyl)hydroxylamine;butane
SMILESCCCC.NCCNO
InChIInChI=1S/C4H10.C2H8N2O/c1-3-4-2;3-1-2-4-5/h3-4H2,1-2H3;4-5H,1-3H2
InChIKeyRUUZXGPNEOUREJ-UHFFFAOYSA-N
XLogP0.73
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)hydroxylamine;butane 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

butane;ethane;N-ethylhydroxylamine
CID 143111792
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370
3-(2-aminoethylamino)propanenitrile;N-(2-aminoethyl)hydroxylamine
CID 174815402
azane;N'-propylethane-1,2-diamine
CID 87476258
N-[2-(propylamino)ethyl]hydroxylamine
CID 145161066
butane;hydrazine
CID 161056989
ethane;N-hexylhydroxylamine
CID 23139656
2-hydrazinylethanamine;propane
CID 87476365
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
N'-docosylethane-1,2-diamine
CID 18783196
cyclopropane;N'-propylethane-1,2-diamine
CID 175530712

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)hydroxylamine;butane?
The IUPAC name of N-(2-aminoethyl)hydroxylamine;butane (CID 22159511) is N-(2-aminoethyl)hydroxylamine;butane.
What is the SMILES notation for N-(2-aminoethyl)hydroxylamine;butane?
The canonical SMILES for N-(2-aminoethyl)hydroxylamine;butane is CCCC.NCCNO.
What is the InChIKey of N-(2-aminoethyl)hydroxylamine;butane?
The InChIKey is RUUZXGPNEOUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2H8N2O/c1-3-4-2;3-1-2-4-5/h3-4H2,1-2H3;4-5H,1-3H2.
What are the key properties of N-(2-aminoethyl)hydroxylamine;butane?
N-(2-aminoethyl)hydroxylamine;butane has a molecular weight of 134.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)hydroxylamine;butane is sourced from PubChem (CID 22159511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).