N-(2-aminoethyl)-N-propan-2-ylhydroxylamine

C5H14N2O — CID 87369544

IUPACN-(2-aminoethyl)-N-propan-2-ylhydroxylamine
SMILESCC(C)N(O)CCN
InChIInChI=1S/C5H14N2O/c1-5(2)7(8)4-3-6/h5,8H,3-4,6H2,1-2H3
InChIKeyPGEQQYZDLLBWED-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.04
Rot. Bonds3

About N-(2-aminoethyl)-N-propan-2-ylhydroxylamine

N-(2-aminoethyl)-N-propan-2-ylhydroxylamine (PubChem CID 87369544) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propan-2-ylhydroxylamine
PubChem CID87369544
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameN-(2-aminoethyl)-N-propan-2-ylhydroxylamine
SMILESCC(C)N(O)CCN
InChIInChI=1S/C5H14N2O/c1-5(2)7(8)4-3-6/h5,8H,3-4,6H2,1-2H3
InChIKeyPGEQQYZDLLBWED-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propan-2-ylhydroxylamine?
The IUPAC name of N-(2-aminoethyl)-N-propan-2-ylhydroxylamine (CID 87369544) is N-(2-aminoethyl)-N-propan-2-ylhydroxylamine.
What is the SMILES notation for N-(2-aminoethyl)-N-propan-2-ylhydroxylamine?
The canonical SMILES for N-(2-aminoethyl)-N-propan-2-ylhydroxylamine is CC(C)N(O)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-propan-2-ylhydroxylamine?
The InChIKey is PGEQQYZDLLBWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(2)7(8)4-3-6/h5,8H,3-4,6H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propan-2-ylhydroxylamine?
N-(2-aminoethyl)-N-propan-2-ylhydroxylamine has a molecular weight of 118.18 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propan-2-ylhydroxylamine is sourced from PubChem (CID 87369544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).