N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine

C15H18N2S — CID 46997748

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1cccnc1)Cc1ccc(C)s1
InChIInChI=1S/C15H18N2S/c1-3-9-17(11-14-5-4-8-16-10-14)12-15-7-6-13(2)18-15/h3-8,10H,1,9,11-12H2,2H3
InChIKeyPEOIVXXRFHDPFD-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.64
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine

N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine (PubChem CID 46997748) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
PubChem CID46997748
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1cccnc1)Cc1ccc(C)s1
InChIInChI=1S/C15H18N2S/c1-3-9-17(11-14-5-4-8-16-10-14)12-15-7-6-13(2)18-15/h3-8,10H,1,9,11-12H2,2H3
InChIKeyPEOIVXXRFHDPFD-UHFFFAOYSA-N
XLogP3.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine (CID 46997748) is N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine is C=CCN(Cc1cccnc1)Cc1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is PEOIVXXRFHDPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-9-17(11-14-5-4-8-16-10-14)12-15-7-6-13(2)18-15/h3-8,10H,1,9,11-12H2,2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine?
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 46997748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).