2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

C14H29NO — CID 116724128

IUPAC2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCOC(C(N)C1CCCC(C)C1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-10-7-6-8-11(9-10)12(15)13(16-5)14(2,3)4/h10-13H,6-9,15H2,1-5H3
InChIKeyWIBOOYVWFAFSON-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine

2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (PubChem CID 116724128) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
PubChem CID116724128
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
SMILESCOC(C(N)C1CCCC(C)C1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-10-7-6-8-11(9-10)12(15)13(16-5)14(2,3)4/h10-13H,6-9,15H2,1-5H3
InChIKeyWIBOOYVWFAFSON-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116725214
2-methoxy-3,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107136882
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104991953
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104992100
(1-cyclohexyl-2-methoxy-3,3-dimethylbutyl)hydrazine
CID 105273420
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
[1-(3,5-dimethylcyclohexyl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 105273536
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine
CID 112680985
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
CID 79493446

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine (CID 116724128) is 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is COC(C(N)C1CCCC(C)C1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
The InChIKey is WIBOOYVWFAFSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10-7-6-8-11(9-10)12(15)13(16-5)14(2,3)4/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine?
2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 116724128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).