2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide

C9H18BrNO2 — CID 66875980

IUPAC2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
SMILESBr.NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.BrH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyDJOITRXLMIEMFM-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.95
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide

2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide (PubChem CID 66875980) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
PubChem CID66875980
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
SMILESBr.NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.BrH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyDJOITRXLMIEMFM-UHFFFAOYSA-N
XLogP1.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
sodium;tetrakis(2-[1-(aminomethyl)cyclohexyl]acetic acid);hydride;sulfuric acid;hydrate
CID 173180921
2-[1-(aminomethyl)-3,3,4,4-tetradeuteriocyclohexyl]acetic acid
CID 25217867
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[1-(aminomethyl)cyclohexyl]acetic acid;2-carboxyphenolate
CID 86759529
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
CID 45260303
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
CID 81168920
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide (CID 66875980) is 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide is Br.NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide?
The InChIKey is DJOITRXLMIEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.BrH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide?
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide has a molecular weight of 252.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide is sourced from PubChem (CID 66875980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).