1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine

C15H21N3S — CID 163761459

IUPAC1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine
SMILESCC(C)C(N(C)C)N(c1ccccn1)c1cccs1
InChIInChI=1S/C15H21N3S/c1-12(2)15(17(3)4)18(14-9-7-11-19-14)13-8-5-6-10-16-13/h5-12,15H,1-4H3
InChIKeyLYNJVBZQDZJIIF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.82
Rot. Bonds5

About 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine

1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine (PubChem CID 163761459) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine
PubChem CID163761459
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine
SMILESCC(C)C(N(C)C)N(c1ccccn1)c1cccs1
InChIInChI=1S/C15H21N3S/c1-12(2)15(17(3)4)18(14-9-7-11-19-14)13-8-5-6-10-16-13/h5-12,15H,1-4H3
InChIKeyLYNJVBZQDZJIIF-UHFFFAOYSA-N
XLogP3.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine?
The IUPAC name of 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine (CID 163761459) is 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine?
The canonical SMILES for 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine is CC(C)C(N(C)C)N(c1ccccn1)c1cccs1.
What is the InChIKey of 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine?
The InChIKey is LYNJVBZQDZJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12(2)15(17(3)4)18(14-9-7-11-19-14)13-8-5-6-10-16-13/h5-12,15H,1-4H3.
What are the key properties of 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine?
1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine has a molecular weight of 275.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-trimethyl-1-N'-pyridin-2-yl-1-N'-thiophen-2-ylpropane-1,1-diamine is sourced from PubChem (CID 163761459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).