2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine

C15H31NO — CID 64740123

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)OC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-15(5,11-16-7-2)17-14-9-8-12(3)13(4)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyALHVVDTXQHSQAI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine

2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine (PubChem CID 64740123) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine
PubChem CID64740123
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)OC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-15(5,11-16-7-2)17-14-9-8-12(3)13(4)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyALHVVDTXQHSQAI-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine (CID 64740123) is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)OC1CCC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine?
The InChIKey is ALHVVDTXQHSQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-15(5,11-16-7-2)17-14-9-8-12(3)13(4)10-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 64740123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).