2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine

C13H27NO — CID 116757406

IUPAC2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
SMILESCCC(C)(OC)C(N)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-5-13(3,15-4)12(14)11-8-6-10(2)7-9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyOWHHWGUQIPGBMW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds4

About 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine

2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine (PubChem CID 116757406) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
PubChem CID116757406
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
SMILESCCC(C)(OC)C(N)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-5-13(3,15-4)12(14)11-8-6-10(2)7-9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyOWHHWGUQIPGBMW-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexyl-2-methoxyethan-1-amine
CID 57016644
(1-Methoxy-4-methylcyclohexyl)methanamine
CID 15495983
[1-(Difluoromethoxy)-4-propylcyclohexyl]methanamine
CID 65052658
[1-(2-Fluoroethoxy)-4-propylcyclohexyl]methanamine
CID 80699285
[1-(3-Fluoropropoxy)-4-propylcyclohexyl]methanamine
CID 81105337
1-[4-Methoxy-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84736840
4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031844
1-(4-Methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215449
1-(4-Ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215495
2-Ethoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165224
2-Propoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165490
2-Methoxy-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165716

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine (CID 116757406) is 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine is CCC(C)(OC)C(N)C1CCC(C)CC1.
What is the InChIKey of 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine?
The InChIKey is OWHHWGUQIPGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(3,15-4)12(14)11-8-6-10(2)7-9-11/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine?
2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 116757406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).