N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C18H27N3S — CID 46990554

IUPACN'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CN(CCN(C)C)Cc2ccc(C)s2)nc1
InChIInChI=1S/C18H27N3S/c1-5-16-7-8-17(19-12-16)13-21(11-10-20(3)4)14-18-9-6-15(2)22-18/h6-9,12H,5,10-11,13-14H2,1-4H3
InChIKeyLCYQWWJVSJAMGA-UHFFFAOYSA-N
MW317.50 g/mol
LogP3.58
Rot. Bonds8

About N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 46990554) has the molecular formula C18H27N3S and a molecular weight of 317.50 g/mol. Its IUPAC name is N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID46990554
Molecular FormulaC18H27N3S
Molecular Weight317.50 g/mol
Exact Mass317.19
IUPAC NameN'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(CN(CCN(C)C)Cc2ccc(C)s2)nc1
InChIInChI=1S/C18H27N3S/c1-5-16-7-8-17(19-12-16)13-21(11-10-20(3)4)14-18-9-6-15(2)22-18/h6-9,12H,5,10-11,13-14H2,1-4H3
InChIKeyLCYQWWJVSJAMGA-UHFFFAOYSA-N
XLogP3.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 46990554) is N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is CCc1ccc(CN(CCN(C)C)Cc2ccc(C)s2)nc1.
What is the InChIKey of N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is LCYQWWJVSJAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3S/c1-5-16-7-8-17(19-12-16)13-21(11-10-20(3)4)14-18-9-6-15(2)22-18/h6-9,12H,5,10-11,13-14H2,1-4H3.
What are the key properties of N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 317.50 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46990554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).