(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

C11H21N3 — CID 12014155

IUPAC(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC(C)[C@H]1CN2C[C@H](C(C)C)NC2=N1
InChIInChI=1S/C11H21N3/c1-7(2)9-5-14-6-10(8(3)4)13-11(14)12-9/h7-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyFFMGOGYMUJDPEN-NXEZZACHSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds2

About (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (PubChem CID 12014155) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
PubChem CID12014155
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESCC(C)[C@H]1CN2C[C@H](C(C)C)NC2=N1
InChIInChI=1S/C11H21N3/c1-7(2)9-5-14-6-10(8(3)4)13-11(14)12-9/h7-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1
InChIKeyFFMGOGYMUJDPEN-NXEZZACHSA-N
XLogP1.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The IUPAC name of (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (CID 12014155) is (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.
What is the SMILES notation for (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The canonical SMILES for (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is CC(C)[C@H]1CN2C[C@H](C(C)C)NC2=N1.
What is the InChIKey of (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The InChIKey is FFMGOGYMUJDPEN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)9-5-14-6-10(8(3)4)13-11(14)12-9/h7-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1.
What are the key properties of (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
(2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole has a molecular weight of 195.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 12014155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).