1-(4-methoxycyclohexyl)ethanamine;hydrochloride

C9H20ClNO — CID 69351320

IUPAC1-(4-methoxycyclohexyl)ethanamine;hydrochloride
SMILESCOC1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyAULRDPPCAQQPPP-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-methoxycyclohexyl)ethanamine;hydrochloride

1-(4-methoxycyclohexyl)ethanamine;hydrochloride (PubChem CID 69351320) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)ethanamine;hydrochloride
PubChem CID69351320
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-(4-methoxycyclohexyl)ethanamine;hydrochloride
SMILESCOC1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h7-9H,3-6,10H2,1-2H3;1H
InChIKeyAULRDPPCAQQPPP-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-methoxycyclohexyl)ethanamine;hydrochloride (CID 69351320) is 1-(4-methoxycyclohexyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxycyclohexyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-methoxycyclohexyl)ethanamine;hydrochloride is COC1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-(4-methoxycyclohexyl)ethanamine;hydrochloride?
The InChIKey is AULRDPPCAQQPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h7-9H,3-6,10H2,1-2H3;1H.
What are the key properties of 1-(4-methoxycyclohexyl)ethanamine;hydrochloride?
1-(4-methoxycyclohexyl)ethanamine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)ethanamine;hydrochloride is sourced from PubChem (CID 69351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).