(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride

C10H22ClNO — CID 71741933

IUPAC(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride
SMILESCOC1CC(CN)CC(C)(C)C1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2)5-8(7-11)4-9(6-10)12-3;/h8-9H,4-7,11H2,1-3H3;1H
InChIKeyGUNQHBAVTRDSJV-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.21
Rot. Bonds2

About (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride

(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride (PubChem CID 71741933) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride
PubChem CID71741933
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride
SMILESCOC1CC(CN)CC(C)(C)C1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2)5-8(7-11)4-9(6-10)12-3;/h8-9H,4-7,11H2,1-3H3;1H
InChIKeyGUNQHBAVTRDSJV-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride?
The IUPAC name of (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride (CID 71741933) is (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride is COC1CC(CN)CC(C)(C)C1.Cl.
What is the InChIKey of (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride?
The InChIKey is GUNQHBAVTRDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-10(2)5-8(7-11)4-9(6-10)12-3;/h8-9H,4-7,11H2,1-3H3;1H.
What are the key properties of (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride?
(5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3,3-dimethylcyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 71741933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).