1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine

C15H29NO — CID 106654544

IUPAC1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)C1=CCCCCCC1
InChIInChI=1S/C15H29NO/c1-5-15(2,17-4)14(16-3)13-11-9-7-6-8-10-12-13/h11,14,16H,5-10,12H2,1-4H3
InChIKeyUQYIFWXGPWYMGQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds5

About 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 106654544) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID106654544
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)C1=CCCCCCC1
InChIInChI=1S/C15H29NO/c1-5-15(2,17-4)14(16-3)13-11-9-7-6-8-10-12-13/h11,14,16H,5-10,12H2,1-4H3
InChIKeyUQYIFWXGPWYMGQ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 106653796
[1-(cycloocten-1-yl)-2-ethyl-2-methoxybutyl]hydrazine
CID 106649609
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 106654576
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62680127
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 106654510
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
CID 106654431

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 106654544) is 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is UQYIFWXGPWYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-15(2,17-4)14(16-3)13-11-9-7-6-8-10-12-13/h11,14,16H,5-10,12H2,1-4H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 106654544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).