2,3-dicyclopentyl-1,2-dimethylazepane

C18H33N — CID 175836886

IUPAC2,3-dicyclopentyl-1,2-dimethylazepane
SMILESCN1CCCCC(C2CCCC2)C1(C)C1CCCC1
InChIInChI=1S/C18H33N/c1-18(16-11-5-6-12-16)17(15-9-3-4-10-15)13-7-8-14-19(18)2/h15-17H,3-14H2,1-2H3
InChIKeyKELHVDXOJTVMRQ-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.86
Rot. Bonds2

About 2,3-dicyclopentyl-1,2-dimethylazepane

2,3-dicyclopentyl-1,2-dimethylazepane (PubChem CID 175836886) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2,3-dicyclopentyl-1,2-dimethylazepane.

Molecular Properties

Compound Name2,3-dicyclopentyl-1,2-dimethylazepane
PubChem CID175836886
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2,3-dicyclopentyl-1,2-dimethylazepane
SMILESCN1CCCCC(C2CCCC2)C1(C)C1CCCC1
InChIInChI=1S/C18H33N/c1-18(16-11-5-6-12-16)17(15-9-3-4-10-15)13-7-8-14-19(18)2/h15-17H,3-14H2,1-2H3
InChIKeyKELHVDXOJTVMRQ-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclopentyl-1,2-dimethylazepane?
The IUPAC name of 2,3-dicyclopentyl-1,2-dimethylazepane (CID 175836886) is 2,3-dicyclopentyl-1,2-dimethylazepane.
What is the SMILES notation for 2,3-dicyclopentyl-1,2-dimethylazepane?
The canonical SMILES for 2,3-dicyclopentyl-1,2-dimethylazepane is CN1CCCCC(C2CCCC2)C1(C)C1CCCC1.
What is the InChIKey of 2,3-dicyclopentyl-1,2-dimethylazepane?
The InChIKey is KELHVDXOJTVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-18(16-11-5-6-12-16)17(15-9-3-4-10-15)13-7-8-14-19(18)2/h15-17H,3-14H2,1-2H3.
What are the key properties of 2,3-dicyclopentyl-1,2-dimethylazepane?
2,3-dicyclopentyl-1,2-dimethylazepane has a molecular weight of 263.47 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclopentyl-1,2-dimethylazepane is sourced from PubChem (CID 175836886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).