N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine

C14H24N2O — CID 10376842

IUPACN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccnc(OC)c1
InChIInChI=1S/C14H24N2O/c1-4-9-16(10-5-2)11-7-13-6-8-15-14(12-13)17-3/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyJJKADKQDFNVOLD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine

N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine (PubChem CID 10376842) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine
PubChem CID10376842
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccnc(OC)c1
InChIInChI=1S/C14H24N2O/c1-4-9-16(10-5-2)11-7-13-6-8-15-14(12-13)17-3/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyJJKADKQDFNVOLD-UHFFFAOYSA-N
XLogP2.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine (CID 10376842) is N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1ccnc(OC)c1.
What is the InChIKey of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine?
The InChIKey is JJKADKQDFNVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-9-16(10-5-2)11-7-13-6-8-15-14(12-13)17-3/h6,8,12H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine?
N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-pyridinyl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 10376842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).