2-aminoethyl cyclohexanecarboxylate;hydrochloride

C9H18ClNO2 — CID 67519694

IUPAC2-aminoethyl cyclohexanecarboxylate;hydrochloride
SMILESCl.NCCOC(=O)C1CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-6-7-12-9(11)8-4-2-1-3-5-8;/h8H,1-7,10H2;1H
InChIKeyPUHAZTGVYMCHBK-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.49
Rot. Bonds3

About 2-aminoethyl cyclohexanecarboxylate;hydrochloride

2-aminoethyl cyclohexanecarboxylate;hydrochloride (PubChem CID 67519694) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-aminoethyl cyclohexanecarboxylate;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl cyclohexanecarboxylate;hydrochloride
PubChem CID67519694
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-aminoethyl cyclohexanecarboxylate;hydrochloride
SMILESCl.NCCOC(=O)C1CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-6-7-12-9(11)8-4-2-1-3-5-8;/h8H,1-7,10H2;1H
InChIKeyPUHAZTGVYMCHBK-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
2-fluoroethyl cyclobutanecarboxylate
CID 45090053
2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397
3-bromopropyl cyclopentanecarboxylate
CID 10776091
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
2-fluoroethyl cyclopropanecarboxylate
CID 130693210
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
prop-2-enyl cyclododecanecarboxylate
CID 139624721
2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl cyclohexanecarboxylate;hydrochloride?
The IUPAC name of 2-aminoethyl cyclohexanecarboxylate;hydrochloride (CID 67519694) is 2-aminoethyl cyclohexanecarboxylate;hydrochloride.
What is the SMILES notation for 2-aminoethyl cyclohexanecarboxylate;hydrochloride?
The canonical SMILES for 2-aminoethyl cyclohexanecarboxylate;hydrochloride is Cl.NCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-aminoethyl cyclohexanecarboxylate;hydrochloride?
The InChIKey is PUHAZTGVYMCHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-6-7-12-9(11)8-4-2-1-3-5-8;/h8H,1-7,10H2;1H.
What are the key properties of 2-aminoethyl cyclohexanecarboxylate;hydrochloride?
2-aminoethyl cyclohexanecarboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl cyclohexanecarboxylate;hydrochloride is sourced from PubChem (CID 67519694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).