methyl 2-(2-bromoprop-2-enylamino)hexanoate

C10H18BrNO2 — CID 103264452

IUPACmethyl 2-(2-bromoprop-2-enylamino)hexanoate
SMILESC=C(Br)CNC(CCCC)C(=O)OC
InChIInChI=1S/C10H18BrNO2/c1-4-5-6-9(10(13)14-3)12-7-8(2)11/h9,12H,2,4-7H2,1,3H3
InChIKeyRMVGJVQWRMHUHI-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-(2-bromoprop-2-enylamino)hexanoate

methyl 2-(2-bromoprop-2-enylamino)hexanoate (PubChem CID 103264452) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is methyl 2-(2-bromoprop-2-enylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(2-bromoprop-2-enylamino)hexanoate
PubChem CID103264452
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Namemethyl 2-(2-bromoprop-2-enylamino)hexanoate
SMILESC=C(Br)CNC(CCCC)C(=O)OC
InChIInChI=1S/C10H18BrNO2/c1-4-5-6-9(10(13)14-3)12-7-8(2)11/h9,12H,2,4-7H2,1,3H3
InChIKeyRMVGJVQWRMHUHI-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
methyl 2-[(4-hydroxy-2-methylbutyl)amino]hexanoate
CID 103256143
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 2-(2-bromoprop-2-enylamino)-3-methylbutanoate
CID 60873203
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoprop-2-enylamino)hexanoate?
The IUPAC name of methyl 2-(2-bromoprop-2-enylamino)hexanoate (CID 103264452) is methyl 2-(2-bromoprop-2-enylamino)hexanoate.
What is the SMILES notation for methyl 2-(2-bromoprop-2-enylamino)hexanoate?
The canonical SMILES for methyl 2-(2-bromoprop-2-enylamino)hexanoate is C=C(Br)CNC(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-(2-bromoprop-2-enylamino)hexanoate?
The InChIKey is RMVGJVQWRMHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-4-5-6-9(10(13)14-3)12-7-8(2)11/h9,12H,2,4-7H2,1,3H3.
What are the key properties of methyl 2-(2-bromoprop-2-enylamino)hexanoate?
methyl 2-(2-bromoprop-2-enylamino)hexanoate has a molecular weight of 264.16 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoprop-2-enylamino)hexanoate is sourced from PubChem (CID 103264452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).