N-methyl-3-nitrosopropan-1-amine

C4H10N2O — CID 89062844

IUPACN-methyl-3-nitrosopropan-1-amine
SMILESCNCCCN=O
InChIInChI=1S/C4H10N2O/c1-5-3-2-4-6-7/h5H,2-4H2,1H3
InChIKeyDXFDOIBDQQCPTN-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.36
Rot. Bonds4

About N-methyl-3-nitrosopropan-1-amine

N-methyl-3-nitrosopropan-1-amine (PubChem CID 89062844) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N-methyl-3-nitrosopropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-nitrosopropan-1-amine
PubChem CID89062844
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN-methyl-3-nitrosopropan-1-amine
SMILESCNCCCN=O
InChIInChI=1S/C4H10N2O/c1-5-3-2-4-6-7/h5H,2-4H2,1H3
InChIKeyDXFDOIBDQQCPTN-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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-methyl-3-nitrosopropan-1-amine?
The IUPAC name of N-methyl-3-nitrosopropan-1-amine (CID 89062844) is N-methyl-3-nitrosopropan-1-amine.
What is the SMILES notation for N-methyl-3-nitrosopropan-1-amine?
The canonical SMILES for N-methyl-3-nitrosopropan-1-amine is CNCCCN=O.
What is the InChIKey of N-methyl-3-nitrosopropan-1-amine?
The InChIKey is DXFDOIBDQQCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-5-3-2-4-6-7/h5H,2-4H2,1H3.
What are the key properties of N-methyl-3-nitrosopropan-1-amine?
N-methyl-3-nitrosopropan-1-amine has a molecular weight of 102.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitrosopropan-1-amine is sourced from PubChem (CID 89062844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).