N-[(benzylamino)methyl]formamide

C9H12N2O — CID 12511023

IUPACN-[(benzylamino)methyl]formamide
SMILESO=CNCNCc1ccccc1
InChIInChI=1S/C9H12N2O/c12-8-11-7-10-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,11,12)
InChIKeyNDEPTNBTFCVBFE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.48
Rot. Bonds5

About N-[(benzylamino)methyl]formamide

N-[(benzylamino)methyl]formamide (PubChem CID 12511023) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(benzylamino)methyl]formamide.

Molecular Properties

Compound NameN-[(benzylamino)methyl]formamide
PubChem CID12511023
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(benzylamino)methyl]formamide
SMILESO=CNCNCc1ccccc1
InChIInChI=1S/C9H12N2O/c12-8-11-7-10-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,11,12)
InChIKeyNDEPTNBTFCVBFE-UHFFFAOYSA-N
XLogP0.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.48
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzylformamide
CID 139060556
benzene-1,2-diol;N-benzylformamide
CID 174601153
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
2-(benzylamino)acetaldehyde
CID 2769654
N-benzyl-N'-phenylmethanediamine
CID 151589453
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
methane;N-(2-phenylethyl)formamide
CID 143644399
2-[(benzylamino)methylamino]ethanol
CID 57472463
(benzylamino)methanethiol
CID 88942779
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-(6-phenylhexyl)formamide
CID 25180077

Frequently Asked Questions

What is the IUPAC name of N-[(benzylamino)methyl]formamide?
The IUPAC name of N-[(benzylamino)methyl]formamide (CID 12511023) is N-[(benzylamino)methyl]formamide.
What is the SMILES notation for N-[(benzylamino)methyl]formamide?
The canonical SMILES for N-[(benzylamino)methyl]formamide is O=CNCNCc1ccccc1.
What is the InChIKey of N-[(benzylamino)methyl]formamide?
The InChIKey is NDEPTNBTFCVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-8-11-7-10-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,11,12).
What are the key properties of N-[(benzylamino)methyl]formamide?
N-[(benzylamino)methyl]formamide has a molecular weight of 164.21 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzylamino)methyl]formamide is sourced from PubChem (CID 12511023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).