3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine

C17H36N2O — CID 103035851

IUPAC3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCC(CC)(C(CCC(C)(C)OC)NC)N1CCCC1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2,19-13-9-10-14-19)15(18-5)11-12-16(3,4)20-6/h15,18H,7-14H2,1-6H3
InChIKeyQAHBPKNAYSZQIR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.43
Rot. Bonds9

About 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine

3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 103035851) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
PubChem CID103035851
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCC(CC)(C(CCC(C)(C)OC)NC)N1CCCC1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2,19-13-9-10-14-19)15(18-5)11-12-16(3,4)20-6/h15,18H,7-14H2,1-6H3
InChIKeyQAHBPKNAYSZQIR-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 79067196
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79067520
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
CID 79068000
4-methoxy-N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 103035859
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
1-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
CID 123491134
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine (CID 103035851) is 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine is CCC(CC)(C(CCC(C)(C)OC)NC)N1CCCC1.
What is the InChIKey of 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is QAHBPKNAYSZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(8-2,19-13-9-10-14-19)15(18-5)11-12-16(3,4)20-6/h15,18H,7-14H2,1-6H3.
What are the key properties of 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 284.49 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 103035851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).