(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide

C11H21BrN2O — CID 104861235

IUPAC(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide
SMILESC=C(Br)CNC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C11H21BrN2O/c1-8(2)4-10(6-13)5-11(15)14-7-9(3)12/h8,10H,3-7,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyPJBAFCSGSPYREK-JTQLQIEISA-N
MW277.21 g/mol
LogP2.02
Rot. Bonds7

About (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide (PubChem CID 104861235) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide
PubChem CID104861235
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide
SMILESC=C(Br)CNC(=O)C[C@@H](CN)CC(C)C
InChIInChI=1S/C11H21BrN2O/c1-8(2)4-10(6-13)5-11(15)14-7-9(3)12/h8,10H,3-7,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyPJBAFCSGSPYREK-JTQLQIEISA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

Cyclohexanecarboxamide, N-(2-bromoallyl)-
CID 299424
Cyclopentanecarboxamide, N-methallyl-
CID 91695769
3-methyl-N-prop-2-enylhexanamide
CID 118686883
2-ethyl-N-prop-2-enylpentanamide
CID 143207402
2-ethyl-N-prop-2-enylhexanamide
CID 4096349
N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide
CID 52768180
N-(2-bromoprop-2-enyl)-3-cyclohexylpropanamide
CID 52768193
N-ethyl-N-(2-methylprop-2-enyl)-2-piperidin-3-ylacetamide
CID 62677024
6-amino-4-ethyl-N-prop-2-enylhexanamide
CID 64342452
6-amino-4-ethyl-N,N-bis(prop-2-enyl)hexanamide
CID 64342455
6-amino-N,4-diethyl-N-(2-methylprop-2-enyl)hexanamide
CID 64342650
4-(2-aminoethyl)-N-prop-2-enylheptanamide
CID 64347149

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide (CID 104861235) is (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide is C=C(Br)CNC(=O)C[C@@H](CN)CC(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide?
The InChIKey is PJBAFCSGSPYREK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-8(2)4-10(6-13)5-11(15)14-7-9(3)12/h8,10H,3-7,13H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide has a molecular weight of 277.21 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(2-bromoprop-2-enyl)-5-methylhexanamide is sourced from PubChem (CID 104861235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).