5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine

C13H22N2O — CID 103711047

IUPAC5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
SMILESCOCCCCCNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-3-5-11-16-2/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3
InChIKeyRIXYOHZZSPTNBP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds8

About 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine

5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine (PubChem CID 103711047) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
PubChem CID103711047
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
SMILESCOCCCCCNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-3-5-11-16-2/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3
InChIKeyRIXYOHZZSPTNBP-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine?
The IUPAC name of 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine (CID 103711047) is 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine is COCCCCCNC(C)c1ccncc1.
What is the InChIKey of 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine?
The InChIKey is RIXYOHZZSPTNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(13-6-9-14-10-7-13)15-8-4-3-5-11-16-2/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3.
What are the key properties of 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine?
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 103711047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).