1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine

C17H33NO — CID 106654576

IUPAC1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(C1=CCCCCCC1)C(CC)(CC)OC
InChIInChI=1S/C17H33NO/c1-5-17(6-2,19-4)16(18-7-3)15-13-11-9-8-10-12-14-15/h13,16,18H,5-12,14H2,1-4H3
InChIKeyJTRXEJFKUBVGOA-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds7

About 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine

1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine (PubChem CID 106654576) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
PubChem CID106654576
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(C1=CCCCCCC1)C(CC)(CC)OC
InChIInChI=1S/C17H33NO/c1-5-17(6-2,19-4)16(18-7-3)15-13-11-9-8-10-12-14-15/h13,16,18H,5-12,14H2,1-4H3
InChIKeyJTRXEJFKUBVGOA-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(cycloocten-1-yl)-2-ethyl-2-methoxybutyl]hydrazine
CID 106649609
1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62680127
1-(cyclohepten-1-yl)-N-ethyl-2,2,3,3-tetrafluoropropan-1-amine
CID 79660803
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohepten-1-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 106657118
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 106653796
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine (CID 106654576) is 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine is CCNC(C1=CCCCCCC1)C(CC)(CC)OC.
What is the InChIKey of 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine?
The InChIKey is JTRXEJFKUBVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-17(6-2,19-4)16(18-7-3)15-13-11-9-8-10-12-14-15/h13,16,18H,5-12,14H2,1-4H3.
What are the key properties of 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine?
1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N,2-diethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 106654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).