1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

C16H23N3S — CID 79476253

IUPAC1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(N)C(c1cccnc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H23N3S/c1-12(10-15-7-5-9-20-15)19(3)16(13(2)17)14-6-4-8-18-11-14/h4-9,11-13,16H,10,17H2,1-3H3
InChIKeyPYPJXSXKEHVNIK-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.09
Rot. Bonds6

About 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (PubChem CID 79476253) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
PubChem CID79476253
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(N)C(c1cccnc1)N(C)C(C)Cc1cccs1
InChIInChI=1S/C16H23N3S/c1-12(10-15-7-5-9-20-15)19(3)16(13(2)17)14-6-4-8-18-11-14/h4-9,11-13,16H,10,17H2,1-3H3
InChIKeyPYPJXSXKEHVNIK-UHFFFAOYSA-N
XLogP3.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (CID 79476253) is 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is CC(N)C(c1cccnc1)N(C)C(C)Cc1cccs1.
What is the InChIKey of 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The InChIKey is PYPJXSXKEHVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(10-15-7-5-9-20-15)19(3)16(13(2)17)14-6-4-8-18-11-14/h4-9,11-13,16H,10,17H2,1-3H3.
What are the key properties of 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 79476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).