1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine

C15H20N4 — CID 154770586

IUPAC1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCc1nc(CNC(c2ccncc2)C2CC2)c(C)[nH]1
InChIInChI=1S/C15H20N4/c1-10-14(19-11(2)18-10)9-17-15(12-3-4-12)13-5-7-16-8-6-13/h5-8,12,15,17H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyBLKZWHBSFHQIKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.66
Rot. Bonds5

About 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine

1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 154770586) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID154770586
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCc1nc(CNC(c2ccncc2)C2CC2)c(C)[nH]1
InChIInChI=1S/C15H20N4/c1-10-14(19-11(2)18-10)9-17-15(12-3-4-12)13-5-7-16-8-6-13/h5-8,12,15,17H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyBLKZWHBSFHQIKA-UHFFFAOYSA-N
XLogP2.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine (CID 154770586) is 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine is Cc1nc(CNC(c2ccncc2)C2CC2)c(C)[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is BLKZWHBSFHQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-14(19-11(2)18-10)9-17-15(12-3-4-12)13-5-7-16-8-6-13/h5-8,12,15,17H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine?
1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 154770586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).