1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

C16H22N2S — CID 114954862

IUPAC1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C16H22N2S/c1-12-7-8-17-9-13(12)10-18-11-14-5-6-15(19-14)16(2,3)4/h5-9,18H,10-11H2,1-4H3
InChIKeyCDOJAZBJXXBFNX-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.04
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 114954862) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
PubChem CID114954862
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C16H22N2S/c1-12-7-8-17-9-13(12)10-18-11-14-5-6-15(19-14)16(2,3)4/h5-9,18H,10-11H2,1-4H3
InChIKeyCDOJAZBJXXBFNX-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (CID 114954862) is 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is Cc1ccncc1CNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is CDOJAZBJXXBFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-7-8-17-9-13(12)10-18-11-14-5-6-15(19-14)16(2,3)4/h5-9,18H,10-11H2,1-4H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114954862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).