N-(1-amino-2-methylpropyl)formamide

C5H12N2O — CID 74218484

IUPACN-(1-amino-2-methylpropyl)formamide
SMILESCC(C)C(N)NC=O
InChIInChI=1S/C5H12N2O/c1-4(2)5(6)7-3-8/h3-5H,6H2,1-2H3,(H,7,8)
InChIKeyDWXQBALCIUSDBO-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.33
Rot. Bonds3

About N-(1-amino-2-methylpropyl)formamide

N-(1-amino-2-methylpropyl)formamide (PubChem CID 74218484) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-(1-amino-2-methylpropyl)formamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropyl)formamide
PubChem CID74218484
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-(1-amino-2-methylpropyl)formamide
SMILESCC(C)C(N)NC=O
InChIInChI=1S/C5H12N2O/c1-4(2)5(6)7-3-8/h3-5H,6H2,1-2H3,(H,7,8)
InChIKeyDWXQBALCIUSDBO-UHFFFAOYSA-N
XLogP-0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.33
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropyl)formamide?
The IUPAC name of N-(1-amino-2-methylpropyl)formamide (CID 74218484) is N-(1-amino-2-methylpropyl)formamide.
What is the SMILES notation for N-(1-amino-2-methylpropyl)formamide?
The canonical SMILES for N-(1-amino-2-methylpropyl)formamide is CC(C)C(N)NC=O.
What is the InChIKey of N-(1-amino-2-methylpropyl)formamide?
The InChIKey is DWXQBALCIUSDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)5(6)7-3-8/h3-5H,6H2,1-2H3,(H,7,8).
What are the key properties of N-(1-amino-2-methylpropyl)formamide?
N-(1-amino-2-methylpropyl)formamide has a molecular weight of 116.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropyl)formamide is sourced from PubChem (CID 74218484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).