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

C16H33N — CID 64570673

IUPAC4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
SMILESCC(C)C(C)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)13(3)11-17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyWSUUFYVUECXURC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds4

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

4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine (PubChem CID 64570673) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
PubChem CID64570673
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
SMILESCC(C)C(C)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)13(3)11-17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyWSUUFYVUECXURC-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine (CID 64570673) is 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine is CC(C)C(C)CNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine?
The InChIKey is WSUUFYVUECXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)13(3)11-17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine?
4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 64570673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).