2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol

C15H33NO — CID 71071102

IUPAC2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol
SMILESCCC(C)C1CCCCCCC1NC.CCO
InChIInChI=1S/C13H27N.C2H6O/c1-4-11(2)12-9-7-5-6-8-10-13(12)14-3;1-2-3/h11-14H,4-10H2,1-3H3;3H,2H2,1H3
InChIKeyWQSYLUUUFLQGJF-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.59
Rot. Bonds3

About 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol

2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol (PubChem CID 71071102) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol.

Molecular Properties

Compound Name2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol
PubChem CID71071102
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol
SMILESCCC(C)C1CCCCCCC1NC.CCO
InChIInChI=1S/C13H27N.C2H6O/c1-4-11(2)12-9-7-5-6-8-10-13(12)14-3;1-2-3/h11-14H,4-10H2,1-3H3;3H,2H2,1H3
InChIKeyWQSYLUUUFLQGJF-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol?
The IUPAC name of 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol (CID 71071102) is 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol.
What is the SMILES notation for 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol?
The canonical SMILES for 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol is CCC(C)C1CCCCCCC1NC.CCO.
What is the InChIKey of 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol?
The InChIKey is WQSYLUUUFLQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C2H6O/c1-4-11(2)12-9-7-5-6-8-10-13(12)14-3;1-2-3/h11-14H,4-10H2,1-3H3;3H,2H2,1H3.
What are the key properties of 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol?
2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol has a molecular weight of 243.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-methylcyclooctan-1-amine;ethanol is sourced from PubChem (CID 71071102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).