(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine

C15H20N2S — CID 95131581

IUPAC(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
SMILESCC[C@H](c1cccnc1)N(C)Cc1sccc1C
InChIInChI=1S/C15H20N2S/c1-4-14(13-6-5-8-16-10-13)17(3)11-15-12(2)7-9-18-15/h5-10,14H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyONWADQQKJOWCHB-CQSZACIVSA-N
MW260.41 g/mol
LogP4.03
Rot. Bonds5

About (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine

(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine (PubChem CID 95131581) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
PubChem CID95131581
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine
SMILESCC[C@H](c1cccnc1)N(C)Cc1sccc1C
InChIInChI=1S/C15H20N2S/c1-4-14(13-6-5-8-16-10-13)17(3)11-15-12(2)7-9-18-15/h5-10,14H,4,11H2,1-3H3/t14-/m1/s1
InChIKeyONWADQQKJOWCHB-CQSZACIVSA-N
XLogP4.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 56714057
(3S)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-2,5-dione
CID 98161563
5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
CID 95230670
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 18135887
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 119060069

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine (CID 95131581) is (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine is CC[C@H](c1cccnc1)N(C)Cc1sccc1C.
What is the InChIKey of (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine?
The InChIKey is ONWADQQKJOWCHB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-14(13-6-5-8-16-10-13)17(3)11-15-12(2)7-9-18-15/h5-10,14H,4,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine?
(1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 95131581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).