3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine

C15H25N3 — CID 114016560

IUPAC3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C1CC1(C)C
InChIInChI=1S/C15H25N3/c1-5-6-17-13(12-8-15(12,3)4)11-7-10(2)9-18-14(11)16/h7,9,12-13,17H,5-6,8H2,1-4H3,(H2,16,18)
InChIKeyWDUAARRYVLXRFJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.06
Rot. Bonds5

About 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine

3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 114016560) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
PubChem CID114016560
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)C1CC1(C)C
InChIInChI=1S/C15H25N3/c1-5-6-17-13(12-8-15(12,3)4)11-7-10(2)9-18-14(11)16/h7,9,12-13,17H,5-6,8H2,1-4H3,(H2,16,18)
InChIKeyWDUAARRYVLXRFJ-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine (CID 114016560) is 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine is CCCNC(c1cc(C)cnc1N)C1CC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is WDUAARRYVLXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-6-17-13(12-8-15(12,3)4)11-7-10(2)9-18-14(11)16/h7,9,12-13,17H,5-6,8H2,1-4H3,(H2,16,18).
What are the key properties of 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 114016560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).