(1-methoxy-4,4-dimethylcyclohexyl)methanamine

C10H21NO — CID 65052683

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2)4-6-10(8-11,12-3)7-5-9/h4-8,11H2,1-3H3
InChIKeyUKDWTDHNTPDNRJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds2

About (1-methoxy-4,4-dimethylcyclohexyl)methanamine

(1-methoxy-4,4-dimethylcyclohexyl)methanamine (PubChem CID 65052683) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)methanamine
PubChem CID65052683
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2)4-6-10(8-11,12-3)7-5-9/h4-8,11H2,1-3H3
InChIKeyUKDWTDHNTPDNRJ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methoxy-4-methylcyclohexyl)methanamine
CID 15495983
1-(Aminomethyl)-4,4-dimethylcyclohexan-1-ol
CID 59845710
(1-Methoxycyclohexyl)methanamine hydrochloride
CID 66589196
((1-Methoxy-4,4-dimethylcyclohexyl)methyl)(methyl)amine
CID 130591134
(4-Methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine
CID 138040345
1-(1-Methoxy-3,3,5,5-tetramethylcyclohexyl)methanamine hydrochloride
CID 165589755
1-(1-Methoxy-3,3-dimethylcyclohexyl)methanamine hydrochloride
CID 165691384
(1-Methoxycyclohexyl)methanamine
CID 15495971
[4,4-Dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine
CID 65050848
[1-(2,2-Difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine
CID 65052241
[4,4-Dimethyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 65052386
[4,4-Dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 65052434

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)methanamine (CID 65052683) is (1-methoxy-4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)methanamine is COC1(CN)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The InChIKey is UKDWTDHNTPDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)4-6-10(8-11,12-3)7-5-9/h4-8,11H2,1-3H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)methanamine?
(1-methoxy-4,4-dimethylcyclohexyl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 65052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).