ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride

C10H20ClNO2 — CID 13145623

IUPACethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9-5-3-8(7-11)4-6-9;/h8-9H,2-7,11H2,1H3;1H
InChIKeyZGOGVHCRASZRFV-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.74
Rot. Bonds3

About ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride

ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 13145623) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
PubChem CID13145623
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nameethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(CN)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9-5-3-8(7-11)4-6-9;/h8-9H,2-7,11H2,1H3;1H
InChIKeyZGOGVHCRASZRFV-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride (CID 13145623) is ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(CN)CC1.Cl.
What is the InChIKey of ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is ZGOGVHCRASZRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9-5-3-8(7-11)4-6-9;/h8-9H,2-7,11H2,1H3;1H.
What are the key properties of ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 13145623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).