N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine

C12H16N4 — CID 62293447

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C12H16N4/c1-10(2)15-8-11-4-3-5-14-12(11)16-7-6-13-9-16/h3-7,9-10,15H,8H2,1-2H3
InChIKeyQTFYHFBWEMWCPL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.77
Rot. Bonds4

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 62293447) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID62293447
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1-n1ccnc1
InChIInChI=1S/C12H16N4/c1-10(2)15-8-11-4-3-5-14-12(11)16-7-6-13-9-16/h3-7,9-10,15H,8H2,1-2H3
InChIKeyQTFYHFBWEMWCPL-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine (CID 62293447) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cccnc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is QTFYHFBWEMWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(2)15-8-11-4-3-5-14-12(11)16-7-6-13-9-16/h3-7,9-10,15H,8H2,1-2H3.
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62293447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).