N-(aminomethyl)-2-methylpropanamide

C5H12N2O — CID 88582106

IUPACN-(aminomethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCN
InChIInChI=1S/C5H12N2O/c1-4(2)5(8)7-3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyRGJGYEJTEQWOHA-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.33
Rot. Bonds2

About N-(aminomethyl)-2-methylpropanamide

N-(aminomethyl)-2-methylpropanamide (PubChem CID 88582106) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-(aminomethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(aminomethyl)-2-methylpropanamide
PubChem CID88582106
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-(aminomethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCN
InChIInChI=1S/C5H12N2O/c1-4(2)5(8)7-3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyRGJGYEJTEQWOHA-UHFFFAOYSA-N
XLogP-0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
(2S)-N-(aminomethyl)-2-[ethyl(methyl)amino]propanamide
CID 174564655
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-2-methylpropanamide?
The IUPAC name of N-(aminomethyl)-2-methylpropanamide (CID 88582106) is N-(aminomethyl)-2-methylpropanamide.
What is the SMILES notation for N-(aminomethyl)-2-methylpropanamide?
The canonical SMILES for N-(aminomethyl)-2-methylpropanamide is CC(C)C(=O)NCN.
What is the InChIKey of N-(aminomethyl)-2-methylpropanamide?
The InChIKey is RGJGYEJTEQWOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)5(8)7-3-6/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of N-(aminomethyl)-2-methylpropanamide?
N-(aminomethyl)-2-methylpropanamide has a molecular weight of 116.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-2-methylpropanamide is sourced from PubChem (CID 88582106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).