2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine

C13H27NO — CID 82239429

IUPAC2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-7-5-6-8-13(11,14)9-10-15-4/h11H,5-10,14H2,1-4H3
InChIKeyUNNQZUHCXVIHEB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds3

About 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine

2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 82239429) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
PubChem CID82239429
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCC1(N)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)11-7-5-6-8-13(11,14)9-10-15-4/h11H,5-10,14H2,1-4H3
InChIKeyUNNQZUHCXVIHEB-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-tert-butyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824548

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine (CID 82239429) is 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine is COCCC1(N)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is UNNQZUHCXVIHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)11-7-5-6-8-13(11,14)9-10-15-4/h11H,5-10,14H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine?
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 82239429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).