3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine

C14H20N4 — CID 114722496

IUPAC3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)(C)CCn1cncc1-c1cccnc1N
InChIInChI=1S/C14H20N4/c1-14(2,3)6-8-18-10-16-9-12(18)11-5-4-7-17-13(11)15/h4-5,7,9-10H,6,8H2,1-3H3,(H2,15,17)
InChIKeyZGYGRVCZCSTGAH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds3

About 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine

3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114722496) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114722496
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)(C)CCn1cncc1-c1cccnc1N
InChIInChI=1S/C14H20N4/c1-14(2,3)6-8-18-10-16-9-12(18)11-5-4-7-17-13(11)15/h4-5,7,9-10H,6,8H2,1-3H3,(H2,15,17)
InChIKeyZGYGRVCZCSTGAH-UHFFFAOYSA-N
XLogP2.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106410397
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114720176

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine (CID 114722496) is 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine is CC(C)(C)CCn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is ZGYGRVCZCSTGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)6-8-18-10-16-9-12(18)11-5-4-7-17-13(11)15/h4-5,7,9-10H,6,8H2,1-3H3,(H2,15,17).
What are the key properties of 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).