N-[1-(methylamino)propyl]formamide

C5H12N2O — CID 87799267

IUPACN-[1-(methylamino)propyl]formamide
SMILESCCC(NC)NC=O
InChIInChI=1S/C5H12N2O/c1-3-5(6-2)7-4-8/h4-6H,3H2,1-2H3,(H,7,8)
InChIKeyRMEGISWMJQXXCS-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.31
Rot. Bonds4

About N-[1-(methylamino)propyl]formamide

N-[1-(methylamino)propyl]formamide (PubChem CID 87799267) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[1-(methylamino)propyl]formamide.

Molecular Properties

Compound NameN-[1-(methylamino)propyl]formamide
PubChem CID87799267
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[1-(methylamino)propyl]formamide
SMILESCCC(NC)NC=O
InChIInChI=1S/C5H12N2O/c1-3-5(6-2)7-4-8/h4-6H,3H2,1-2H3,(H,7,8)
InChIKeyRMEGISWMJQXXCS-UHFFFAOYSA-N
XLogP-0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-(methylamino)propyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)propyl]formamide?
The IUPAC name of N-[1-(methylamino)propyl]formamide (CID 87799267) is N-[1-(methylamino)propyl]formamide.
What is the SMILES notation for N-[1-(methylamino)propyl]formamide?
The canonical SMILES for N-[1-(methylamino)propyl]formamide is CCC(NC)NC=O.
What is the InChIKey of N-[1-(methylamino)propyl]formamide?
The InChIKey is RMEGISWMJQXXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(6-2)7-4-8/h4-6H,3H2,1-2H3,(H,7,8).
What are the key properties of N-[1-(methylamino)propyl]formamide?
N-[1-(methylamino)propyl]formamide has a molecular weight of 116.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)propyl]formamide is sourced from PubChem (CID 87799267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).