N-(3-imino-2-methylpropyl)formamide

C5H10N2O — CID 123138014

IUPACN-(3-imino-2-methylpropyl)formamide
SMILES[H]/N=C/C(C)CNC=O
InChIInChI=1S/C5H10N2O/c1-5(2-6)3-7-4-8/h2,4-6H,3H2,1H3,(H,7,8)/b6-2+
InChIKeyIUFCHNBAWCOJNA-QHHAFSJGSA-N
MW114.15 g/mol
LogP0.02
Rot. Bonds4

About N-(3-imino-2-methylpropyl)formamide

N-(3-imino-2-methylpropyl)formamide (PubChem CID 123138014) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(3-imino-2-methylpropyl)formamide.

Molecular Properties

Compound NameN-(3-imino-2-methylpropyl)formamide
PubChem CID123138014
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(3-imino-2-methylpropyl)formamide
SMILES[H]/N=C/C(C)CNC=O
InChIInChI=1S/C5H10N2O/c1-5(2-6)3-7-4-8/h2,4-6H,3H2,1H3,(H,7,8)/b6-2+
InChIKeyIUFCHNBAWCOJNA-QHHAFSJGSA-N
XLogP0.02
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imino-2-methylpropyl)formamide?
The IUPAC name of N-(3-imino-2-methylpropyl)formamide (CID 123138014) is N-(3-imino-2-methylpropyl)formamide.
What is the SMILES notation for N-(3-imino-2-methylpropyl)formamide?
The canonical SMILES for N-(3-imino-2-methylpropyl)formamide is [H]/N=C/C(C)CNC=O.
What is the InChIKey of N-(3-imino-2-methylpropyl)formamide?
The InChIKey is IUFCHNBAWCOJNA-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(2-6)3-7-4-8/h2,4-6H,3H2,1H3,(H,7,8)/b6-2+.
What are the key properties of N-(3-imino-2-methylpropyl)formamide?
N-(3-imino-2-methylpropyl)formamide has a molecular weight of 114.15 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imino-2-methylpropyl)formamide is sourced from PubChem (CID 123138014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).