2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine

C16H33N — CID 134285692

IUPAC2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine
SMILESCC(C)(C)CCC1CCC(C(C)(C)C)C(N)C1
InChIInChI=1S/C16H33N/c1-15(2,3)10-9-12-7-8-13(14(17)11-12)16(4,5)6/h12-14H,7-11,17H2,1-6H3
InChIKeyOXMVHZRAQWQYPE-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.60
Rot. Bonds2

About 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine

2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine (PubChem CID 134285692) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine
PubChem CID134285692
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine
SMILESCC(C)(C)CCC1CCC(C(C)(C)C)C(N)C1
InChIInChI=1S/C16H33N/c1-15(2,3)10-9-12-7-8-13(14(17)11-12)16(4,5)6/h12-14H,7-11,17H2,1-6H3
InChIKeyOXMVHZRAQWQYPE-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-(3,3-dimethylbutyl)cyclohexan-1-ol;2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-ol;methane;1-methoxy-2-methylbutane
CID 159328298
trans-(1R,2S)-2-tert-butylcyclopropan-1-amine;hydrochloride
CID 139022348
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
CID 145098680
2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765549
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
trans-(1R,3R)-3-(4,4-dimethylpentyl)cyclopentane-1-carboxylic acid
CID 71036933
4-tert-butyl-3-cyclopropylcyclohexan-1-amine
CID 165498686
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
CID 58552442
1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine
CID 126492640
3-tert-butyl-2-ethylcyclobutan-1-amine
CID 81415034

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine (CID 134285692) is 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine is CC(C)(C)CCC1CCC(C(C)(C)C)C(N)C1.
What is the InChIKey of 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine?
The InChIKey is OXMVHZRAQWQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)10-9-12-7-8-13(14(17)11-12)16(4,5)6/h12-14H,7-11,17H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine?
2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3,3-dimethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 134285692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).