2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine

C16H33NO — CID 66234496

IUPAC2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-17-14-11-12(2)10-13(3)15(14)18-9-8-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyPNUVQCIUNHICAL-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 66234496) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID66234496
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1OCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-17-14-11-12(2)10-13(3)15(14)18-9-8-16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyPNUVQCIUNHICAL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 66234496) is 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is PNUVQCIUNHICAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-17-14-11-12(2)10-13(3)15(14)18-9-8-16(4,5)6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66234496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).