3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine

C16H33N — CID 176827800

IUPAC3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C16H33N/c1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6/h12-14H,9-11H2,1-8H3
InChIKeyIOCICNAINOVDDO-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.43
Rot. Bonds1

About 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine

3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine (PubChem CID 176827800) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine
PubChem CID176827800
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C16H33N/c1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6/h12-14H,9-11H2,1-8H3
InChIKeyIOCICNAINOVDDO-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine (CID 176827800) is 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is IOCICNAINOVDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6/h12-14H,9-11H2,1-8H3.
What are the key properties of 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine?
3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 176827800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).