4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine

C15H22N4 — CID 102628123

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc3ncccc3[nH]2)C1(C)C
InChIInChI=1S/C15H22N4/c1-9-11(16)7-6-10(15(9,2)3)13-18-12-5-4-8-17-14(12)19-13/h4-5,8-11H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyXXXJNMPMAPVVJN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.82
Rot. Bonds1

About 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine

4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102628123) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102628123
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(c2nc3ncccc3[nH]2)C1(C)C
InChIInChI=1S/C15H22N4/c1-9-11(16)7-6-10(15(9,2)3)13-18-12-5-4-8-17-14(12)19-13/h4-5,8-11H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyXXXJNMPMAPVVJN-UHFFFAOYSA-N
XLogP2.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine (CID 102628123) is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(c2nc3ncccc3[nH]2)C1(C)C.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is XXXJNMPMAPVVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-9-11(16)7-6-10(15(9,2)3)13-18-12-5-4-8-17-14(12)19-13/h4-5,8-11H,6-7,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine?
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102628123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).