4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine

C16H27N3S2 — CID 103346418

IUPAC4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CSC(C)C(C)S1
InChIInChI=1S/C16H27N3S2/c1-4-6-18-14(8-13-5-7-19-16(17)9-13)15-10-20-11(2)12(3)21-15/h5,7,9,11-12,14-15,18H,4,6,8,10H2,1-3H3,(H2,17,19)
InChIKeySGZCVTIDRPIVMB-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.20
Rot. Bonds6

About 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine

4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 103346418) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID103346418
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CSC(C)C(C)S1
InChIInChI=1S/C16H27N3S2/c1-4-6-18-14(8-13-5-7-19-16(17)9-13)15-10-20-11(2)12(3)21-15/h5,7,9,11-12,14-15,18H,4,6,8,10H2,1-3H3,(H2,17,19)
InChIKeySGZCVTIDRPIVMB-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 103346410
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
N-[2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 103346402
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 65414759
4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115337065
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine
CID 103346440
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103346362

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (CID 103346418) is 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C1CSC(C)C(C)S1.
What is the InChIKey of 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is SGZCVTIDRPIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-4-6-18-14(8-13-5-7-19-16(17)9-13)15-10-20-11(2)12(3)21-15/h5,7,9,11-12,14-15,18H,4,6,8,10H2,1-3H3,(H2,17,19).
What are the key properties of 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 325.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 103346418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).