N-[3-(methylamino)propyl]formamide

C5H12N2O — CID 54313593

IUPACN-[3-(methylamino)propyl]formamide
SMILESCNCCCNC=O
InChIInChI=1S/C5H12N2O/c1-6-3-2-4-7-5-8/h5-6H,2-4H2,1H3,(H,7,8)
InChIKeyBHBNGOFPGOBLPG-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.66
Rot. Bonds5

About N-[3-(methylamino)propyl]formamide

N-[3-(methylamino)propyl]formamide (PubChem CID 54313593) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]formamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]formamide
PubChem CID54313593
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[3-(methylamino)propyl]formamide
SMILESCNCCCNC=O
InChIInChI=1S/C5H12N2O/c1-6-3-2-4-7-5-8/h5-6H,2-4H2,1H3,(H,7,8)
InChIKeyBHBNGOFPGOBLPG-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]formamide?
The IUPAC name of N-[3-(methylamino)propyl]formamide (CID 54313593) is N-[3-(methylamino)propyl]formamide.
What is the SMILES notation for N-[3-(methylamino)propyl]formamide?
The canonical SMILES for N-[3-(methylamino)propyl]formamide is CNCCCNC=O.
What is the InChIKey of N-[3-(methylamino)propyl]formamide?
The InChIKey is BHBNGOFPGOBLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-6-3-2-4-7-5-8/h5-6H,2-4H2,1H3,(H,7,8).
What are the key properties of N-[3-(methylamino)propyl]formamide?
N-[3-(methylamino)propyl]formamide has a molecular weight of 116.16 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]formamide is sourced from PubChem (CID 54313593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).