2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine

C16H33NO — CID 66231563

IUPAC2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-17-13-8-9-16(5,6)12-14(13)18-11-10-15(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyXXQPFILSBKNKBQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine

2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 66231563) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID66231563
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OCCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-7-17-13-8-9-16(5,6)12-14(13)18-11-10-15(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyXXQPFILSBKNKBQ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 66321323
2-(2-cyclopropylethoxy)-N,4,4-trimethylcyclohexan-1-amine
CID 106200593
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64746326
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
3-(3,3-dimethylbutoxy)-N-propyloxan-4-amine
CID 66232235
3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351618
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
CID 114340804
N-ethyl-4,4-dimethyl-2-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64646429
2-(2-cyclopropylethoxy)-4,4-dimethylcyclohexan-1-ol
CID 106203965
4-tert-butyl-N-ethyl-2-(2-propoxyethoxy)cyclohexan-1-amine
CID 63686191

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 66231563) is 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is XXQPFILSBKNKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-17-13-8-9-16(5,6)12-14(13)18-11-10-15(2,3)4/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
2-(3,3-dimethylbutoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 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-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66231563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).