3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

C18H30N2O — CID 62256771

IUPAC3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(C)c2cccc(OC)c2)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-14-18(10-5-6-11-18)15-20(2)16-8-7-9-17(13-16)21-3/h7-9,13,19H,4-6,10-12,14-15H2,1-3H3
InChIKeyAQLQFWZHNOUEGJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.69
Rot. Bonds8

About 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (PubChem CID 62256771) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
PubChem CID62256771
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(C)c2cccc(OC)c2)CCCC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-14-18(10-5-6-11-18)15-20(2)16-8-7-9-17(13-16)21-3/h7-9,13,19H,4-6,10-12,14-15H2,1-3H3
InChIKeyAQLQFWZHNOUEGJ-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The IUPAC name of 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (CID 62256771) is 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is CCCNCC1(CN(C)c2cccc(OC)c2)CCCC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The InChIKey is AQLQFWZHNOUEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-14-18(10-5-6-11-18)15-20(2)16-8-7-9-17(13-16)21-3/h7-9,13,19H,4-6,10-12,14-15H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is sourced from PubChem (CID 62256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).