1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine

C21H26N2O — CID 167763481

IUPAC1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine
SMILESCOc1cccc(C(NC(C)CC2C=CCC2)c2cccnc2)c1
InChIInChI=1S/C21H26N2O/c1-16(13-17-7-3-4-8-17)23-21(19-10-6-12-22-15-19)18-9-5-11-20(14-18)24-2/h3,5-7,9-12,14-17,21,23H,4,8,13H2,1-2H3
InChIKeyWCUMZXUDLCMWQM-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.51
Rot. Bonds7

About 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine

1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine (PubChem CID 167763481) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine
PubChem CID167763481
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine
SMILESCOc1cccc(C(NC(C)CC2C=CCC2)c2cccnc2)c1
InChIInChI=1S/C21H26N2O/c1-16(13-17-7-3-4-8-17)23-21(19-10-6-12-22-15-19)18-9-5-11-20(14-18)24-2/h3,5-7,9-12,14-17,21,23H,4,8,13H2,1-2H3
InChIKeyWCUMZXUDLCMWQM-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohex-2-en-1-yl-N-(cyclopropylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 70508072
(2R)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]thiolane-2-carboxamide
CID 97218743
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
N-[(3,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-1-pyridin-3-ylmethanamine
CID 75514113
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(2S)-N-[(S)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213232
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
CID 158360272
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine?
The IUPAC name of 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine (CID 167763481) is 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine?
The canonical SMILES for 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine is COc1cccc(C(NC(C)CC2C=CCC2)c2cccnc2)c1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine?
The InChIKey is WCUMZXUDLCMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(13-17-7-3-4-8-17)23-21(19-10-6-12-22-15-19)18-9-5-11-20(14-18)24-2/h3,5-7,9-12,14-17,21,23H,4,8,13H2,1-2H3.
What are the key properties of 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine?
1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine has a molecular weight of 322.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-N-[(3-methoxyphenyl)-pyridin-3-ylmethyl]propan-2-amine is sourced from PubChem (CID 167763481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).