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

C14H27NO — CID 106653796

IUPAC1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(C1=CCCCCCC1)C(C)(C)OC
InChIInChI=1S/C14H27NO/c1-14(2,16-4)13(15-3)12-10-8-6-5-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyKQHNHVKDOOSLSZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds4

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

1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 106653796) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID106653796
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(C1=CCCCCCC1)C(C)(C)OC
InChIInChI=1S/C14H27NO/c1-14(2,16-4)13(15-3)12-10-8-6-5-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyKQHNHVKDOOSLSZ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 106654510
[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-(cycloocten-1-yl)-N-methylethanamine
CID 106652570
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
1-(cyclopenten-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 55034273
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 106653796) is 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(C1=CCCCCCC1)C(C)(C)OC.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is KQHNHVKDOOSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,16-4)13(15-3)12-10-8-6-5-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 4 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-dimethylpropan-1-amine is sourced from PubChem (CID 106653796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).