2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide

C11H21BrN2O — CID 107472713

IUPAC2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide
SMILESC=C(Br)CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C11H21BrN2O/c1-8(12)7-14-10(15)9(6-13)5-11(2,3)4/h9H,1,5-7,13H2,2-4H3,(H,14,15)
InChIKeyHQRLKPBEOBDBGT-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.02
Rot. Bonds5

About 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide (PubChem CID 107472713) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide
PubChem CID107472713
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide
SMILESC=C(Br)CNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C11H21BrN2O/c1-8(12)7-14-10(15)9(6-13)5-11(2,3)4/h9H,1,5-7,13H2,2-4H3,(H,14,15)
InChIKeyHQRLKPBEOBDBGT-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 56789176
2-(aminomethyl)-N-prop-2-enylpentanamide
CID 65225997
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 65226153
2-(aminomethyl)-4-methyl-N-prop-2-enylpentanamide
CID 80116815
2-(aminomethyl)-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 80116990
3-amino-4,4-dimethyl-N-prop-2-enylpentanamide
CID 81994370
N-[[(3S)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95625000
N-[[(3R)-1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95625001
(2S)-2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 97624265
(2R)-2-amino-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 97624266
2-Amino-4-methyl-pentanoic acid (2-bromo-allyl)-amide
CID 102550600

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide (CID 107472713) is 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide is C=C(Br)CNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide?
The InChIKey is HQRLKPBEOBDBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-8(12)7-14-10(15)9(6-13)5-11(2,3)4/h9H,1,5-7,13H2,2-4H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide has a molecular weight of 277.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).