N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine

C14H25N3S — CID 83124242

IUPACN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyJBSOTMFTCAZYFY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.80
Rot. Bonds8

About N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83124242) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83124242
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyJBSOTMFTCAZYFY-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine (CID 83124242) is N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(SCCN(C)C)cn1.
What is the InChIKey of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is JBSOTMFTCAZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-8-15-12(2)14-7-6-13(11-16-14)18-10-9-17(3)4/h6-7,11-12,15H,5,8-10H2,1-4H3.
What are the key properties of N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).