(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole

C10H18N2 — CID 125471931

IUPAC(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole
SMILESCC1(C)CC(C)(C)[C@H]2N=CN[C@H]21
InChIInChI=1S/C10H18N2/c1-9(2)5-10(3,4)8-7(9)11-6-12-8/h6-8H,5H2,1-4H3,(H,11,12)/t7-,8+
InChIKeyHLBLNMSBBIVUTB-OCAPTIKFSA-N
MW166.27 g/mol
LogP1.81
Rot. Bonds

About (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole

(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole (PubChem CID 125471931) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole
PubChem CID125471931
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole
SMILESCC1(C)CC(C)(C)[C@H]2N=CN[C@H]21
InChIInChI=1S/C10H18N2/c1-9(2)5-10(3,4)8-7(9)11-6-12-8/h6-8H,5H2,1-4H3,(H,11,12)/t7-,8+
InChIKeyHLBLNMSBBIVUTB-OCAPTIKFSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole?
The IUPAC name of (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole (CID 125471931) is (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole.
What is the SMILES notation for (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole?
The canonical SMILES for (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole is CC1(C)CC(C)(C)[C@H]2N=CN[C@H]21.
What is the InChIKey of (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole?
The InChIKey is HLBLNMSBBIVUTB-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)5-10(3,4)8-7(9)11-6-12-8/h6-8H,5H2,1-4H3,(H,11,12)/t7-,8+.
What are the key properties of (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole?
(3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole has a molecular weight of 166.27 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4,4,6,6-tetramethyl-1,3a,5,6a-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 125471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).