N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine

C19H25N3S — CID 26325882

IUPACN-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1)c1ncccc1CNC1CCSCC1
InChIInChI=1S/C19H25N3S/c1-22(15-16-6-3-2-4-7-16)19-17(8-5-11-20-19)14-21-18-9-12-23-13-10-18/h2-8,11,18,21H,9-10,12-15H2,1H3
InChIKeyHMTGHBZQGONOLG-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine

N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine (PubChem CID 26325882) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine
PubChem CID26325882
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC NameN-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1)c1ncccc1CNC1CCSCC1
InChIInChI=1S/C19H25N3S/c1-22(15-16-6-3-2-4-7-16)19-17(8-5-11-20-19)14-21-18-9-12-23-13-10-18/h2-8,11,18,21H,9-10,12-15H2,1H3
InChIKeyHMTGHBZQGONOLG-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine (CID 26325882) is N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine is CN(Cc1ccccc1)c1ncccc1CNC1CCSCC1.
What is the InChIKey of N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine?
The InChIKey is HMTGHBZQGONOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-22(15-16-6-3-2-4-7-16)19-17(8-5-11-20-19)14-21-18-9-12-23-13-10-18/h2-8,11,18,21H,9-10,12-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine?
N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine has a molecular weight of 327.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[(thian-4-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 26325882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).