2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine

C16H33NO — CID 79619899

IUPAC2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)COC1CCCCC1C
InChIInChI=1S/C16H33NO/c1-13(2)10-17-11-16(4,5)12-18-15-9-7-6-8-14(15)3/h13-15,17H,6-12H2,1-5H3
InChIKeyNYEPHDFFYJOLFS-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine

2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine (PubChem CID 79619899) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine
PubChem CID79619899
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)COC1CCCCC1C
InChIInChI=1S/C16H33NO/c1-13(2)10-17-11-16(4,5)12-18-15-9-7-6-8-14(15)3/h13-15,17H,6-12H2,1-5H3
InChIKeyNYEPHDFFYJOLFS-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine (CID 79619899) is 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)COC1CCCCC1C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine?
The InChIKey is NYEPHDFFYJOLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)10-17-11-16(4,5)12-18-15-9-7-6-8-14(15)3/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine?
2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79619899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).