3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine

C14H20N4 — CID 114706546

IUPAC3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
SMILESCc1ncccc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C14H20N4/c1-10(2)7-12(15)14-8-16-9-18(14)13-5-4-6-17-11(13)3/h4-6,8-10,12H,7,15H2,1-3H3
InChIKeyYQIJLWJXGFVEAP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds4

About 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine (PubChem CID 114706546) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
PubChem CID114706546
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
SMILESCc1ncccc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C14H20N4/c1-10(2)7-12(15)14-8-16-9-18(14)13-5-4-6-17-11(13)3/h4-6,8-10,12H,7,15H2,1-3H3
InChIKeyYQIJLWJXGFVEAP-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 104943346
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107465373
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine (CID 114706546) is 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine is Cc1ncccc1-n1cncc1C(N)CC(C)C.
What is the InChIKey of 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine?
The InChIKey is YQIJLWJXGFVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)7-12(15)14-8-16-9-18(14)13-5-4-6-17-11(13)3/h4-6,8-10,12H,7,15H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114706546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).