N-methyl-1-nitrosopropane-1,3-diamine

C4H11N3O — CID 87688154

IUPACN-methyl-1-nitrosopropane-1,3-diamine
SMILESCNC(CCN)N=O
InChIInChI=1S/C4H11N3O/c1-6-4(7-8)2-3-5/h4,6H,2-3,5H2,1H3
InChIKeyMQWKBKQUIIJFRP-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.35
Rot. Bonds4

About N-methyl-1-nitrosopropane-1,3-diamine

N-methyl-1-nitrosopropane-1,3-diamine (PubChem CID 87688154) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is N-methyl-1-nitrosopropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-1-nitrosopropane-1,3-diamine
PubChem CID87688154
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC NameN-methyl-1-nitrosopropane-1,3-diamine
SMILESCNC(CCN)N=O
InChIInChI=1S/C4H11N3O/c1-6-4(7-8)2-3-5/h4,6H,2-3,5H2,1H3
InChIKeyMQWKBKQUIIJFRP-UHFFFAOYSA-N
XLogP-0.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-nitrosopropane-1,3-diamine?
The IUPAC name of N-methyl-1-nitrosopropane-1,3-diamine (CID 87688154) is N-methyl-1-nitrosopropane-1,3-diamine.
What is the SMILES notation for N-methyl-1-nitrosopropane-1,3-diamine?
The canonical SMILES for N-methyl-1-nitrosopropane-1,3-diamine is CNC(CCN)N=O.
What is the InChIKey of N-methyl-1-nitrosopropane-1,3-diamine?
The InChIKey is MQWKBKQUIIJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-6-4(7-8)2-3-5/h4,6H,2-3,5H2,1H3.
What are the key properties of N-methyl-1-nitrosopropane-1,3-diamine?
N-methyl-1-nitrosopropane-1,3-diamine has a molecular weight of 117.15 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-nitrosopropane-1,3-diamine is sourced from PubChem (CID 87688154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).