N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H33NO — CID 103033545

IUPACN-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-14(2)10-13(11-15(3,4)12-14)17-9-8-16(5,6)18-7/h13,17H,8-12H2,1-7H3
InChIKeyZUEJWQDXJSOPJE-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103033545) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103033545
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO/c1-14(2)10-13(11-15(3,4)12-14)17-9-8-16(5,6)18-7/h13,17H,8-12H2,1-7H3
InChIKeyZUEJWQDXJSOPJE-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103033545) is N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine is COC(C)(C)CCNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is ZUEJWQDXJSOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)10-13(11-15(3,4)12-14)17-9-8-16(5,6)18-7/h13,17H,8-12H2,1-7H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-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 N-(3-methoxy-3-methylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103033545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).