[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine

C17H33NO — CID 43294136

IUPAC[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine
SMILESCC1CC(OC2CCCCCC2CN)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-13-9-15(11-17(2,3)10-13)19-16-8-6-4-5-7-14(16)12-18/h13-16H,4-12,18H2,1-3H3
InChIKeyFERNCJQOVONTTE-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds3

About [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine

[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine (PubChem CID 43294136) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine
PubChem CID43294136
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine
SMILESCC1CC(OC2CCCCCC2CN)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-13-9-15(11-17(2,3)10-13)19-16-8-6-4-5-7-14(16)12-18/h13-16H,4-12,18H2,1-3H3
InChIKeyFERNCJQOVONTTE-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine?
The IUPAC name of [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine (CID 43294136) is [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine.
What is the SMILES notation for [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine?
The canonical SMILES for [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine is CC1CC(OC2CCCCCC2CN)CC(C)(C)C1.
What is the InChIKey of [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine?
The InChIKey is FERNCJQOVONTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13-9-15(11-17(2,3)10-13)19-16-8-6-4-5-7-14(16)12-18/h13-16H,4-12,18H2,1-3H3.
What are the key properties of [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine?
[2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,5-trimethylcyclohexyl)oxycycloheptyl]methanamine is sourced from PubChem (CID 43294136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).