N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine

C18H24N2OS — CID 50963060

IUPACN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine
SMILESCc1cccnc1CN(C)Cc1ccc(C2CCCCO2)s1
InChIInChI=1S/C18H24N2OS/c1-14-6-5-10-19-16(14)13-20(2)12-15-8-9-18(22-15)17-7-3-4-11-21-17/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3
InChIKeyYVZQSADNSKLISU-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.33
Rot. Bonds5

About N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine (PubChem CID 50963060) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine
PubChem CID50963060
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine
SMILESCc1cccnc1CN(C)Cc1ccc(C2CCCCO2)s1
InChIInChI=1S/C18H24N2OS/c1-14-6-5-10-19-16(14)13-20(2)12-15-8-9-18(22-15)17-7-3-4-11-21-17/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3
InChIKeyYVZQSADNSKLISU-UHFFFAOYSA-N
XLogP4.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine (CID 50963060) is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine is Cc1cccnc1CN(C)Cc1ccc(C2CCCCO2)s1.
What is the InChIKey of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine?
The InChIKey is YVZQSADNSKLISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14-6-5-10-19-16(14)13-20(2)12-15-8-9-18(22-15)17-7-3-4-11-21-17/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine?
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine has a molecular weight of 316.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[5-(oxan-2-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 50963060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).