1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine

C13H18N4 — CID 63097057

IUPAC1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1Cc1ccncc1
InChIInChI=1S/C13H18N4/c1-2-12(14)9-13-16-7-8-17(13)10-11-3-5-15-6-4-11/h3-8,12H,2,9-10,14H2,1H3
InChIKeyTYYNJJHXBHLUIO-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.61
Rot. Bonds5

About 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine

1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine (PubChem CID 63097057) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
PubChem CID63097057
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1Cc1ccncc1
InChIInChI=1S/C13H18N4/c1-2-12(14)9-13-16-7-8-17(13)10-11-3-5-15-6-4-11/h3-8,12H,2,9-10,14H2,1H3
InChIKeyTYYNJJHXBHLUIO-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-[(2-methylphenyl)methyl]imidazol-2-yl]butan-2-amine
CID 55181659
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842
1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
CID 82009899
1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine
CID 63096712
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602
[1-(1-ethylimidazol-2-yl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 105321916

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine (CID 63097057) is 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine is CCC(N)Cc1nccn1Cc1ccncc1.
What is the InChIKey of 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine?
The InChIKey is TYYNJJHXBHLUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-12(14)9-13-16-7-8-17(13)10-11-3-5-15-6-4-11/h3-8,12H,2,9-10,14H2,1H3.
What are the key properties of 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine?
1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 63097057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).