3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine

C13H27NO — CID 82711873

IUPAC3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
SMILESCC(C)CONC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)9-15-14-12-6-11(3)7-13(4,5)8-12/h10-12,14H,6-9H2,1-5H3
InChIKeyDBGQCHLQYHZIFE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.38
Rot. Bonds4

About 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine

3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine (PubChem CID 82711873) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
PubChem CID82711873
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine
SMILESCC(C)CONC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)9-15-14-12-6-11(3)7-13(4,5)8-12/h10-12,14H,6-9H2,1-5H3
InChIKeyDBGQCHLQYHZIFE-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine (CID 82711873) is 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine is CC(C)CONC1CC(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine?
The InChIKey is DBGQCHLQYHZIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)9-15-14-12-6-11(3)7-13(4,5)8-12/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine?
3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(2-methylpropoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).