N-(aminomethyl)-2,2-dimethylbutanamide

C7H16N2O — CID 20688200

IUPACN-(aminomethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCN
InChIInChI=1S/C7H16N2O/c1-4-7(2,3)6(10)9-5-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyBTJFRJAPVPOHBM-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.46
Rot. Bonds3

About N-(aminomethyl)-2,2-dimethylbutanamide

N-(aminomethyl)-2,2-dimethylbutanamide (PubChem CID 20688200) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(aminomethyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(aminomethyl)-2,2-dimethylbutanamide
PubChem CID20688200
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(aminomethyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCN
InChIInChI=1S/C7H16N2O/c1-4-7(2,3)6(10)9-5-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyBTJFRJAPVPOHBM-UHFFFAOYSA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.46
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-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
N-(2-aminobutyl)-2,2-dimethylbutanamide
CID 63731375
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
3-amino-N-(2-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 115426775

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(aminomethyl)-2,2-dimethylbutanamide (CID 20688200) is N-(aminomethyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(aminomethyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(aminomethyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCN.
What is the InChIKey of N-(aminomethyl)-2,2-dimethylbutanamide?
The InChIKey is BTJFRJAPVPOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-7(2,3)6(10)9-5-8/h4-5,8H2,1-3H3,(H,9,10).
What are the key properties of N-(aminomethyl)-2,2-dimethylbutanamide?
N-(aminomethyl)-2,2-dimethylbutanamide has a molecular weight of 144.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 20688200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).