2-amino-N-(2-bromoprop-2-enyl)hexanamide

C9H17BrN2O — CID 115753303

IUPAC2-amino-N-(2-bromoprop-2-enyl)hexanamide
SMILESC=C(Br)CNC(=O)C(N)CCCC
InChIInChI=1S/C9H17BrN2O/c1-3-4-5-8(11)9(13)12-6-7(2)10/h8H,2-6,11H2,1H3,(H,12,13)
InChIKeyGNVOGMJUHDYJMD-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.53
Rot. Bonds6

About 2-amino-N-(2-bromoprop-2-enyl)hexanamide

2-amino-N-(2-bromoprop-2-enyl)hexanamide (PubChem CID 115753303) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is 2-amino-N-(2-bromoprop-2-enyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromoprop-2-enyl)hexanamide
PubChem CID115753303
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name2-amino-N-(2-bromoprop-2-enyl)hexanamide
SMILESC=C(Br)CNC(=O)C(N)CCCC
InChIInChI=1S/C9H17BrN2O/c1-3-4-5-8(11)9(13)12-6-7(2)10/h8H,2-6,11H2,1H3,(H,12,13)
InChIKeyGNVOGMJUHDYJMD-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2-amino-N-(3-methylbut-2-enyl)hexanamide
CID 106187257
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)hexanamide?
The IUPAC name of 2-amino-N-(2-bromoprop-2-enyl)hexanamide (CID 115753303) is 2-amino-N-(2-bromoprop-2-enyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-bromoprop-2-enyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-bromoprop-2-enyl)hexanamide is C=C(Br)CNC(=O)C(N)CCCC.
What is the InChIKey of 2-amino-N-(2-bromoprop-2-enyl)hexanamide?
The InChIKey is GNVOGMJUHDYJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-3-4-5-8(11)9(13)12-6-7(2)10/h8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(2-bromoprop-2-enyl)hexanamide?
2-amino-N-(2-bromoprop-2-enyl)hexanamide has a molecular weight of 249.15 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromoprop-2-enyl)hexanamide is sourced from PubChem (CID 115753303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).