1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine

C15H31NO — CID 104749574

IUPAC1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
SMILESCNC(COCCC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)10-11-17-12-14(16-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyLTZXAEFSHJVWTF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine

1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine (PubChem CID 104749574) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
PubChem CID104749574
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
SMILESCNC(COCCC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)10-11-17-12-14(16-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyLTZXAEFSHJVWTF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine (CID 104749574) is 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine is CNC(COCCC(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine?
The InChIKey is LTZXAEFSHJVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)10-11-17-12-14(16-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine?
1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine 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 1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine is sourced from PubChem (CID 104749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).