3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine

C13H23N3O2 — CID 79493587

IUPAC3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C(OC)OC
InChIInChI=1S/C13H23N3O2/c1-5-7-15-11(13(17-3)18-4)10-9(2)6-8-16-12(10)14/h6,8,11,13,15H,5,7H2,1-4H3,(H2,14,16)
InChIKeyJXVXABWIZGYUQQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.63
Rot. Bonds7

About 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine

3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine (PubChem CID 79493587) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
PubChem CID79493587
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
SMILESCCCNC(c1c(C)ccnc1N)C(OC)OC
InChIInChI=1S/C13H23N3O2/c1-5-7-15-11(13(17-3)18-4)10-9(2)6-8-16-12(10)14/h6,8,11,13,15H,5,7H2,1-4H3,(H2,14,16)
InChIKeyJXVXABWIZGYUQQ-UHFFFAOYSA-N
XLogP1.63
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
CID 79615875
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
3-[(4-methoxyoxan-4-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 116765092
4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
CID 65360572
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
3-(1-amino-2-methoxy-2-methylpropyl)-4-methylpyridin-2-amine
CID 79197414

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine (CID 79493587) is 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine is CCCNC(c1c(C)ccnc1N)C(OC)OC.
What is the InChIKey of 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine?
The InChIKey is JXVXABWIZGYUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-15-11(13(17-3)18-4)10-9(2)6-8-16-12(10)14/h6,8,11,13,15H,5,7H2,1-4H3,(H2,14,16).
What are the key properties of 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine?
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 79493587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).