N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine

C16H27N3S — CID 80630168

IUPACN,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc(CNCC(C)C)cnc1N(C)C1CCSC1
InChIInChI=1S/C16H27N3S/c1-12(2)8-17-9-14-7-13(3)16(18-10-14)19(4)15-5-6-20-11-15/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3
InChIKeyZMJKRPBHCRMUGB-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.08
Rot. Bonds6

About N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine

N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 80630168) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID80630168
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc(CNCC(C)C)cnc1N(C)C1CCSC1
InChIInChI=1S/C16H27N3S/c1-12(2)8-17-9-14-7-13(3)16(18-10-14)19(4)15-5-6-20-11-15/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3
InChIKeyZMJKRPBHCRMUGB-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine (CID 80630168) is N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine is Cc1cc(CNCC(C)C)cnc1N(C)C1CCSC1.
What is the InChIKey of N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is ZMJKRPBHCRMUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)8-17-9-14-7-13(3)16(18-10-14)19(4)15-5-6-20-11-15/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3.
What are the key properties of N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 80630168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).