N-(nitrosomethyl)propan-1-amine

C4H10N2O — CID 23617309

IUPACN-(nitrosomethyl)propan-1-amine
SMILESCCCNCN=O
InChIInChI=1S/C4H10N2O/c1-2-3-5-4-6-7/h5H,2-4H2,1H3
InChIKeyYYRCADSPJAJYQD-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.71
Rot. Bonds4

About N-(nitrosomethyl)propan-1-amine

N-(nitrosomethyl)propan-1-amine (PubChem CID 23617309) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N-(nitrosomethyl)propan-1-amine.

Molecular Properties

Compound NameN-(nitrosomethyl)propan-1-amine
PubChem CID23617309
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN-(nitrosomethyl)propan-1-amine
SMILESCCCNCN=O
InChIInChI=1S/C4H10N2O/c1-2-3-5-4-6-7/h5H,2-4H2,1H3
InChIKeyYYRCADSPJAJYQD-UHFFFAOYSA-N
XLogP0.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(nitrosomethyl)propan-1-amine?
The IUPAC name of N-(nitrosomethyl)propan-1-amine (CID 23617309) is N-(nitrosomethyl)propan-1-amine.
What is the SMILES notation for N-(nitrosomethyl)propan-1-amine?
The canonical SMILES for N-(nitrosomethyl)propan-1-amine is CCCNCN=O.
What is the InChIKey of N-(nitrosomethyl)propan-1-amine?
The InChIKey is YYRCADSPJAJYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-2-3-5-4-6-7/h5H,2-4H2,1H3.
What are the key properties of N-(nitrosomethyl)propan-1-amine?
N-(nitrosomethyl)propan-1-amine has a molecular weight of 102.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(nitrosomethyl)propan-1-amine is sourced from PubChem (CID 23617309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).