3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine

C13H27NO — CID 64752970

IUPAC3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine
SMILESCC(C)CCOC1C(C)CC(C)CC1N
InChIInChI=1S/C13H27NO/c1-9(2)5-6-15-13-11(4)7-10(3)8-12(13)14/h9-13H,5-8,14H2,1-4H3
InChIKeyGAZVVEHGBHIFHQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.81
Rot. Bonds4

About 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine

3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine (PubChem CID 64752970) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine
PubChem CID64752970
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine
SMILESCC(C)CCOC1C(C)CC(C)CC1N
InChIInChI=1S/C13H27NO/c1-9(2)5-6-15-13-11(4)7-10(3)8-12(13)14/h9-13H,5-8,14H2,1-4H3
InChIKeyGAZVVEHGBHIFHQ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
3,5-dimethyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 64751590
3,5-dimethyl-2-propan-2-ylsulfonylcyclohexan-1-amine
CID 64751706
2-N,3,5-trimethyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 64723008
3,5-dimethyl-2-(4-propylphenoxy)cyclohexan-1-amine
CID 64750822
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-(2-methoxyethoxy)-3,5-dimethylcyclohexan-1-ol
CID 64751700
2-(2,4-dimethylphenoxy)-3,5-dimethylcyclohexan-1-amine
CID 64752568
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 112588812

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine (CID 64752970) is 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine is CC(C)CCOC1C(C)CC(C)CC1N.
What is the InChIKey of 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine?
The InChIKey is GAZVVEHGBHIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)5-6-15-13-11(4)7-10(3)8-12(13)14/h9-13H,5-8,14H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine?
3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-methylbutoxy)cyclohexan-1-amine is sourced from PubChem (CID 64752970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).