4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine

C17H33N — CID 79352272

IUPAC4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C17H33N/c1-15(2,3)12-8-10-13(11-9-12)18-14-16(4,5)17(14,6)7/h12-14,18H,8-11H2,1-7H3
InChIKeyWOBMXKDXMKSZOT-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds2

About 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine

4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine (PubChem CID 79352272) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine
PubChem CID79352272
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C17H33N/c1-15(2,3)12-8-10-13(11-9-12)18-14-16(4,5)17(14,6)7/h12-14,18H,8-11H2,1-7H3
InChIKeyWOBMXKDXMKSZOT-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-cyclopropylcyclohexan-1-amine
CID 16770515
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
4-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43434650
4-tert-butyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 114544060
3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentan-1-amine
CID 79358790
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 43371977
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
[2-[(4-tert-butylcyclohexyl)amino]cyclopentyl]methanol
CID 103700508
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine (CID 79352272) is 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine is CC(C)(C)C1CCC(NC2C(C)(C)C2(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine?
The InChIKey is WOBMXKDXMKSZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-15(2,3)12-8-10-13(11-9-12)18-14-16(4,5)17(14,6)7/h12-14,18H,8-11H2,1-7H3.
What are the key properties of 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine?
4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexan-1-amine is sourced from PubChem (CID 79352272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).