2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide

C11H22N2O — CID 114290587

IUPAC2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC1CC1(C)C
InChIInChI=1S/C11H22N2O/c1-5-11(4,7-12)9(14)13-8-6-10(8,2)3/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyMPGZBCRUBVJQTN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds4

About 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide

2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide (PubChem CID 114290587) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide
PubChem CID114290587
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NC1CC1(C)C
InChIInChI=1S/C11H22N2O/c1-5-11(4,7-12)9(14)13-8-6-10(8,2)3/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyMPGZBCRUBVJQTN-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide (CID 114290587) is 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide is CCC(C)(CN)C(=O)NC1CC1(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide?
The InChIKey is MPGZBCRUBVJQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(4,7-12)9(14)13-8-6-10(8,2)3/h8H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-2-methylbutanamide is sourced from PubChem (CID 114290587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).