N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

C14H18N2OS — CID 44615841

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCc1ccsc1CNCCCOc1ccccn1
InChIInChI=1S/C14H18N2OS/c1-12-6-10-18-13(12)11-15-7-4-9-17-14-5-2-3-8-16-14/h2-3,5-6,8,10,15H,4,7,9,11H2,1H3
InChIKeyCKJKXDGPLWRXRK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.01
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 44615841) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID44615841
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCc1ccsc1CNCCCOc1ccccn1
InChIInChI=1S/C14H18N2OS/c1-12-6-10-18-13(12)11-15-7-4-9-17-14-5-2-3-8-16-14/h2-3,5-6,8,10,15H,4,7,9,11H2,1H3
InChIKeyCKJKXDGPLWRXRK-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 44615841) is N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is Cc1ccsc1CNCCCOc1ccccn1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is CKJKXDGPLWRXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-12-6-10-18-13(12)11-15-7-4-9-17-14-5-2-3-8-16-14/h2-3,5-6,8,10,15H,4,7,9,11H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 44615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).