1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C17H33NO — CID 106656562

IUPAC1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1=CCCCCCC1
InChIInChI=1S/C17H33NO/c1-5-13-18-16(14-17(2,3)19-4)15-11-9-7-6-8-10-12-15/h11,16,18H,5-10,12-14H2,1-4H3
InChIKeyIEWRNJQWARZSLB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.45
Rot. Bonds7

About 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 106656562) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID106656562
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1=CCCCCCC1
InChIInChI=1S/C17H33NO/c1-5-13-18-16(14-17(2,3)19-4)15-11-9-7-6-8-10-12-15/h11,16,18H,5-10,12-14H2,1-4H3
InChIKeyIEWRNJQWARZSLB-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'}

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Related Compounds

3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
CID 90836098
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
CID 173413382
(E)-2,4-dimethyl-N-(3-octoxypropyl)hept-4-en-2-amine
CID 173869231
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine
CID 103027273
2-methoxy-2-methyl-N-propylnon-8-en-4-amine
CID 103027274
2-methoxy-N,2-dimethyl-6-methylideneoctan-4-amine
CID 103028503
N-ethyl-2-methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028505
2-methoxy-2-methyl-6-methylidene-N-propyloctan-4-amine
CID 103028506
2-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 103029362
N-ethyl-2-methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029364

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 106656562) is 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is IEWRNJQWARZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-13-18-16(14-17(2,3)19-4)15-11-9-7-6-8-10-12-15/h11,16,18H,5-10,12-14H2,1-4H3.
What are the key properties of 1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(cycloocten-1-yl)-3-methoxy-3-methyl-N-propylbutan-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)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 106656562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).