3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine

C16H27N3O2 — CID 116765092

IUPAC3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C1(OC)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-4-8-18-14(13-12(2)5-9-19-15(13)17)16(20-3)6-10-21-11-7-16/h5,9,14,18H,4,6-8,10-11H2,1-3H3,(H2,17,19)
InChIKeyPYRJHUYRVFSAHD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.21
Rot. Bonds6

About 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine

3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine (PubChem CID 116765092) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
PubChem CID116765092
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C1(OC)CCOCC1
InChIInChI=1S/C16H27N3O2/c1-4-8-18-14(13-12(2)5-9-19-15(13)17)16(20-3)6-10-21-11-7-16/h5,9,14,18H,4,6-8,10-11H2,1-3H3,(H2,17,19)
InChIKeyPYRJHUYRVFSAHD-UHFFFAOYSA-N
XLogP2.21
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine with MolForge

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Related Compounds

(2-amino-4-methyl-3-pyridinyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754132
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
CID 79615875
3-[(1-ethoxycyclohexyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105276403
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 114661892
3-[amino-(1-methoxy-4,4-dimethylcyclohexyl)methyl]-4-methylpyridin-2-amine
CID 116768939
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine (CID 116765092) is 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine is CCCNC(c1c(C)ccnc1N)C1(OC)CCOCC1.
What is the InChIKey of 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine?
The InChIKey is PYRJHUYRVFSAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-8-18-14(13-12(2)5-9-19-15(13)17)16(20-3)6-10-21-11-7-16/h5,9,14,18H,4,6-8,10-11H2,1-3H3,(H2,17,19).
What are the key properties of 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine?
3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 116765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).