4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole

C13H22N2 — CID 25116044

IUPAC4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole
SMILESc1nc2c([nH]1)CCCCCCCCCC2
InChIInChI=1S/C13H22N2/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2,(H,14,15)
InChIKeyKDEOKARANVSSGD-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.63
Rot. Bonds

About 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole

4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole (PubChem CID 25116044) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole
PubChem CID25116044
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole
SMILESc1nc2c([nH]1)CCCCCCCCCC2
InChIInChI=1S/C13H22N2/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2,(H,14,15)
InChIKeyKDEOKARANVSSGD-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole (CID 25116044) is 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole is c1nc2c([nH]1)CCCCCCCCCC2.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole?
The InChIKey is KDEOKARANVSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2,(H,14,15).
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole?
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole has a molecular weight of 206.33 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]imidazole is sourced from PubChem (CID 25116044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).