1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine

C12H20N4 — CID 165486620

IUPAC1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
SMILESCC(C)NCc1ccc(N2CC(N)C2)nc1
InChIInChI=1S/C12H20N4/c1-9(2)14-5-10-3-4-12(15-6-10)16-7-11(13)8-16/h3-4,6,9,11,14H,5,7-8,13H2,1-2H3
InChIKeyOPNYNJLEGAYPGI-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.73
Rot. Bonds4

About 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine

1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine (PubChem CID 165486620) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
PubChem CID165486620
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
SMILESCC(C)NCc1ccc(N2CC(N)C2)nc1
InChIInChI=1S/C12H20N4/c1-9(2)14-5-10-3-4-12(15-6-10)16-7-11(13)8-16/h3-4,6,9,11,14H,5,7-8,13H2,1-2H3
InChIKeyOPNYNJLEGAYPGI-UHFFFAOYSA-N
XLogP0.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146
4-methyl-1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azepan-4-ol
CID 107405429
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635959
[5-methyl-4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81204269
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736
N-[[6-(3-propan-2-ylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62491762

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine?
The IUPAC name of 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine (CID 165486620) is 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine is CC(C)NCc1ccc(N2CC(N)C2)nc1.
What is the InChIKey of 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine?
The InChIKey is OPNYNJLEGAYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)14-5-10-3-4-12(15-6-10)16-7-11(13)8-16/h3-4,6,9,11,14H,5,7-8,13H2,1-2H3.
What are the key properties of 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine?
1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 165486620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).