N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine

C7H16N2O — CID 88612104

IUPACN-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine
SMILESC=CCNC(CC)N(C)O
InChIInChI=1S/C7H16N2O/c1-4-6-8-7(5-2)9(3)10/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyZGUBQNUJMSFJMM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.82
Rot. Bonds5

About N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine

N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine (PubChem CID 88612104) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine
PubChem CID88612104
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine
SMILESC=CCNC(CC)N(C)O
InChIInChI=1S/C7H16N2O/c1-4-6-8-7(5-2)9(3)10/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyZGUBQNUJMSFJMM-UHFFFAOYSA-N
XLogP0.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine?
The IUPAC name of N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine (CID 88612104) is N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine is C=CCNC(CC)N(C)O.
What is the InChIKey of N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine?
The InChIKey is ZGUBQNUJMSFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-6-8-7(5-2)9(3)10/h4,7-8,10H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine?
N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine has a molecular weight of 144.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(prop-2-enylamino)propyl]hydroxylamine is sourced from PubChem (CID 88612104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).