1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine

C12H16N4 — CID 105149668

IUPAC1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCn1ccnc1C(N)CCc1cccnc1
InChIInChI=1S/C12H16N4/c1-16-8-7-15-12(16)11(13)5-4-10-3-2-6-14-9-10/h2-3,6-9,11H,4-5,13H2,1H3
InChIKeyDUVQAZQGHSEKQW-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.45
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine

1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105149668) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105149668
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCn1ccnc1C(N)CCc1cccnc1
InChIInChI=1S/C12H16N4/c1-16-8-7-15-12(16)11(13)5-4-10-3-2-6-14-9-10/h2-3,6-9,11H,4-5,13H2,1H3
InChIKeyDUVQAZQGHSEKQW-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 90648390
1-pyridin-3-ylhexan-3-amine
CID 64506028
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-3-ylpropan-1-amine
CID 105184332
1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
CID 104807136
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
3-(5-methylhexyl)pyridine
CID 54316004
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (CID 105149668) is 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is Cn1ccnc1C(N)CCc1cccnc1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is DUVQAZQGHSEKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-8-7-15-12(16)11(13)5-4-10-3-2-6-14-9-10/h2-3,6-9,11H,4-5,13H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).