2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide

C10H19BrN2O — CID 115738674

IUPAC2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
SMILESC=C(Br)CNC(=O)C(CN)CC(C)C
InChIInChI=1S/C10H19BrN2O/c1-7(2)4-9(5-12)10(14)13-6-8(3)11/h7,9H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyCYIBLOWSKKCKEC-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.63
Rot. Bonds6

About 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide

2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide (PubChem CID 115738674) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
PubChem CID115738674
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
SMILESC=C(Br)CNC(=O)C(CN)CC(C)C
InChIInChI=1S/C10H19BrN2O/c1-7(2)4-9(5-12)10(14)13-6-8(3)11/h7,9H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyCYIBLOWSKKCKEC-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
CID 115739021
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
CID 90253936
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739679
4-(aminomethyl)-2,6-dimethylhept-1-en-3-one
CID 116597908
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436421
4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
CID 103156647
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide (CID 115738674) is 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide is C=C(Br)CNC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
The InChIKey is CYIBLOWSKKCKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-7(2)4-9(5-12)10(14)13-6-8(3)11/h7,9H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide?
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide has a molecular weight of 263.18 g/mol, XLogP of 1.63, 6 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-methylpentanamide is sourced from PubChem (CID 115738674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).