3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine

C13H23N3O — CID 113391490

IUPAC3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
SMILESCCCNC(CC(C)OC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-4-6-16-13(8-10(2)17-3)11-9-15-7-5-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3,(H2,14,15)
InChIKeyNNBMQOJDPJEONO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.13
Rot. Bonds7

About 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine

3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine (PubChem CID 113391490) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
PubChem CID113391490
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
SMILESCCCNC(CC(C)OC)c1cnccc1N
InChIInChI=1S/C13H23N3O/c1-4-6-16-13(8-10(2)17-3)11-9-15-7-5-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3,(H2,14,15)
InChIKeyNNBMQOJDPJEONO-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
3-[3-ethoxy-1-(propylamino)propyl]pyridin-4-amine
CID 106815087
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
CID 106950927
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-(1-amino-2-methoxypentyl)pyridin-4-amine
CID 116718666
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine?
The IUPAC name of 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine (CID 113391490) is 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine?
The canonical SMILES for 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine is CCCNC(CC(C)OC)c1cnccc1N.
What is the InChIKey of 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine?
The InChIKey is NNBMQOJDPJEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-16-13(8-10(2)17-3)11-9-15-7-5-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3,(H2,14,15).
What are the key properties of 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine?
3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine is sourced from PubChem (CID 113391490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).