(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C12H16N4 — CID 81405813

IUPAC(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cncn1C)c1ccncc1
InChIInChI=1S/C12H16N4/c1-10(11-3-5-13-6-4-11)15-8-12-7-14-9-16(12)2/h3-7,9-10,15H,8H2,1-2H3/t10-/m1/s1
InChIKeySFDKITGTDZJXGB-SNVBAGLBSA-N
MW216.29 g/mol
LogP1.67
Rot. Bonds4

About (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81405813) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81405813
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cncn1C)c1ccncc1
InChIInChI=1S/C12H16N4/c1-10(11-3-5-13-6-4-11)15-8-12-7-14-9-16(12)2/h3-7,9-10,15H,8H2,1-2H3/t10-/m1/s1
InChIKeySFDKITGTDZJXGB-SNVBAGLBSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
N-[(3-methylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 63000281
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
(1S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410726
1-[4-[(1S)-1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124692405
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 81405813) is (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is C[C@@H](NCc1cncn1C)c1ccncc1.
What is the InChIKey of (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is SFDKITGTDZJXGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4/c1-10(11-3-5-13-6-4-11)15-8-12-7-14-9-16(12)2/h3-7,9-10,15H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).