1-octan-4-ylimidazo[4,5-c]pyridin-2-amine

C14H22N4 — CID 114137698

IUPAC1-octan-4-ylimidazo[4,5-c]pyridin-2-amine
SMILESCCCCC(CCC)n1c(N)nc2cnccc21
InChIInChI=1S/C14H22N4/c1-3-5-7-11(6-4-2)18-13-8-9-16-10-12(13)17-14(18)15/h8-11H,3-7H2,1-2H3,(H2,15,17)
InChIKeyIUVKTCLMDVBLCH-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.54
Rot. Bonds6

About 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine

1-octan-4-ylimidazo[4,5-c]pyridin-2-amine (PubChem CID 114137698) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-octan-4-ylimidazo[4,5-c]pyridin-2-amine
PubChem CID114137698
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-octan-4-ylimidazo[4,5-c]pyridin-2-amine
SMILESCCCCC(CCC)n1c(N)nc2cnccc21
InChIInChI=1S/C14H22N4/c1-3-5-7-11(6-4-2)18-13-8-9-16-10-12(13)17-14(18)15/h8-11H,3-7H2,1-2H3,(H2,15,17)
InChIKeyIUVKTCLMDVBLCH-UHFFFAOYSA-N
XLogP3.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexan-3-ylimidazo[4,5-c]pyridin-2-amine
CID 79295628
1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295990
1-[1-(dimethylamino)-4-methylpentan-2-yl]imidazo[4,5-c]pyridin-2-amine
CID 79295623
6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
CID 106019882
1-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295975
2-(1-chloroethyl)-1-heptan-2-ylimidazo[4,5-c]pyridine
CID 79292799
1-[2-(dimethylamino)propyl]imidazo[4,5-c]pyridin-2-amine
CID 79296345
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)butan-2-amine
CID 79798297
4-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pentan-1-amine
CID 104683368
1-(3-ethoxypropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295428
2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine (CID 114137698) is 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine is CCCCC(CCC)n1c(N)nc2cnccc21.
What is the InChIKey of 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is IUVKTCLMDVBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-5-7-11(6-4-2)18-13-8-9-16-10-12(13)17-14(18)15/h8-11H,3-7H2,1-2H3,(H2,15,17).
What are the key properties of 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine?
1-octan-4-ylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-ylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 114137698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).