N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine

C6H16N2O2 — CID 176555577

IUPACN-(3-aminopropoxy)-N-propan-2-ylhydroxylamine
SMILESCC(C)N(O)OCCCN
InChIInChI=1S/C6H16N2O2/c1-6(2)8(9)10-5-3-4-7/h6,9H,3-5,7H2,1-2H3
InChIKeyQZDOLUDPWJFTAV-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.37
Rot. Bonds5

About N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine

N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine (PubChem CID 176555577) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-(3-aminopropoxy)-N-propan-2-ylhydroxylamine
PubChem CID176555577
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC NameN-(3-aminopropoxy)-N-propan-2-ylhydroxylamine
SMILESCC(C)N(O)OCCCN
InChIInChI=1S/C6H16N2O2/c1-6(2)8(9)10-5-3-4-7/h6,9H,3-5,7H2,1-2H3
InChIKeyQZDOLUDPWJFTAV-UHFFFAOYSA-N
XLogP0.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine?
The IUPAC name of N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine (CID 176555577) is N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine.
What is the SMILES notation for N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine?
The canonical SMILES for N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine is CC(C)N(O)OCCCN.
What is the InChIKey of N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine?
The InChIKey is QZDOLUDPWJFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-6(2)8(9)10-5-3-4-7/h6,9H,3-5,7H2,1-2H3.
What are the key properties of N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine?
N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine has a molecular weight of 148.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropoxy)-N-propan-2-ylhydroxylamine is sourced from PubChem (CID 176555577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).