4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid

C11H18BrNO2 — CID 79532642

IUPAC4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
SMILESC=C(Br)CNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18BrNO2/c1-8(12)6-13-7-9-2-4-10(5-3-9)11(14)15/h9-10,13H,1-7H2,(H,14,15)
InChIKeyGWOGJQUSGKDHPX-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.38
Rot. Bonds5

About 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid

4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532642) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79532642
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
SMILESC=C(Br)CNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18BrNO2/c1-8(12)6-13-7-9-2-4-10(5-3-9)11(14)15/h9-10,13H,1-7H2,(H,14,15)
InChIKeyGWOGJQUSGKDHPX-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 60972483
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79532320
4-[(2-ethoxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79531975
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
4-[[(2-methylpropan-2-yl)oxymethylamino]methyl]cyclohexane-1-carboxylic acid
CID 151528355
4-[(2,3-dihydroxypropylamino)methyl]cyclohexane-1-carboxylic acid
CID 82849273
4-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
CID 70347715
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid (CID 79532642) is 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid is C=C(Br)CNCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GWOGJQUSGKDHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-8(12)6-13-7-9-2-4-10(5-3-9)11(14)15/h9-10,13H,1-7H2,(H,14,15).
What are the key properties of 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 276.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).