2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine

C16H33N — CID 103460679

IUPAC2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
SMILESCCC(C)(C)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H33N/c1-7-16(5,6)12-17-14-11-9-8-10-13(14)15(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyMFBLHFUYIBQUJT-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds4

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

2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine (PubChem CID 103460679) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
PubChem CID103460679
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
SMILESCCC(C)(C)CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H33N/c1-7-16(5,6)12-17-14-11-9-8-10-13(14)15(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyMFBLHFUYIBQUJT-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
2-Tert-butylcyclohexan-1-amine
CID 520760
2-[2-Cyclohexyl-2-(4,4-dimethylcyclohexyl)ethyl]piperidine
CID 137640227
amine S-24
CID 19985237
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
2-ethyl-N-methylcyclohexan-1-amine
CID 58095435
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
1-cyclohexyl-N-(2-cyclohexylethyl)pentan-2-amine
CID 172458077

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine (CID 103460679) is 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine is CCC(C)(C)CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine?
The InChIKey is MFBLHFUYIBQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-16(5,6)12-17-14-11-9-8-10-13(14)15(2,3)4/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine?
2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 103460679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).