methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide

C9H18BrNO2 — CID 173135455

IUPACmethyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
SMILESBr.COC(=O)C1CCCCC1CN
InChIInChI=1S/C9H17NO2.BrH/c1-12-9(11)8-5-3-2-4-7(8)6-10;/h7-8H,2-6,10H2,1H3;1H
InChIKeyWPIQFMCNIQQGDI-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.50
Rot. Bonds2

About methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide

methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide (PubChem CID 173135455) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
PubChem CID173135455
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Namemethyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
SMILESBr.COC(=O)C1CCCCC1CN
InChIInChI=1S/C9H17NO2.BrH/c1-12-9(11)8-5-3-2-4-7(8)6-10;/h7-8H,2-6,10H2,1H3;1H
InChIKeyWPIQFMCNIQQGDI-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxypropanoic acid
CID 81078985
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
2-cyclobutylethyl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 106203035
methyl 2-(2-cyanoethyl)cyclononane-1-carboxylate
CID 130316980
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
CID 112674216
pentan-2-yl 2-(aminomethyl)cyclopentane-1-carboxylate
CID 102982666

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide?
The IUPAC name of methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide (CID 173135455) is methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide.
What is the SMILES notation for methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide?
The canonical SMILES for methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide is Br.COC(=O)C1CCCCC1CN.
What is the InChIKey of methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide?
The InChIKey is WPIQFMCNIQQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.BrH/c1-12-9(11)8-5-3-2-4-7(8)6-10;/h7-8H,2-6,10H2,1H3;1H.
What are the key properties of methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide?
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide has a molecular weight of 252.15 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide is sourced from PubChem (CID 173135455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).