4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine

C13H22N2O — CID 62605290

IUPAC4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccncc1
InChIInChI=1S/C13H22N2O/c1-3-7-15-13(6-10-16-2)11-12-4-8-14-9-5-12/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyCZBSEZAZFCDCLX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds8

About 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine

4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine (PubChem CID 62605290) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
PubChem CID62605290
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccncc1
InChIInChI=1S/C13H22N2O/c1-3-7-15-13(6-10-16-2)11-12-4-8-14-9-5-12/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyCZBSEZAZFCDCLX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 55163915
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 79493387
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine (CID 62605290) is 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine is CCCNC(CCOC)Cc1ccncc1.
What is the InChIKey of 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine?
The InChIKey is CZBSEZAZFCDCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-15-13(6-10-16-2)11-12-4-8-14-9-5-12/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine?
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 62605290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).