2-ethyl-2-naphthalen-2-ylazepane

C18H23N — CID 79119079

IUPAC2-ethyl-2-naphthalen-2-ylazepane
SMILESCCC1(c2ccc3ccccc3c2)CCCCCN1
InChIInChI=1S/C18H23N/c1-2-18(12-6-3-7-13-19-18)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14,19H,2-3,6-7,12-13H2,1H3
InChIKeyDGCQNJXHSHIPLW-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.61
Rot. Bonds2

About 2-ethyl-2-naphthalen-2-ylazepane

2-ethyl-2-naphthalen-2-ylazepane (PubChem CID 79119079) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-2-naphthalen-2-ylazepane.

Molecular Properties

Compound Name2-ethyl-2-naphthalen-2-ylazepane
PubChem CID79119079
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-2-naphthalen-2-ylazepane
SMILESCCC1(c2ccc3ccccc3c2)CCCCCN1
InChIInChI=1S/C18H23N/c1-2-18(12-6-3-7-13-19-18)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14,19H,2-3,6-7,12-13H2,1H3
InChIKeyDGCQNJXHSHIPLW-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-naphthalen-2-ylazepane?
The IUPAC name of 2-ethyl-2-naphthalen-2-ylazepane (CID 79119079) is 2-ethyl-2-naphthalen-2-ylazepane.
What is the SMILES notation for 2-ethyl-2-naphthalen-2-ylazepane?
The canonical SMILES for 2-ethyl-2-naphthalen-2-ylazepane is CCC1(c2ccc3ccccc3c2)CCCCCN1.
What is the InChIKey of 2-ethyl-2-naphthalen-2-ylazepane?
The InChIKey is DGCQNJXHSHIPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-18(12-6-3-7-13-19-18)17-11-10-15-8-4-5-9-16(15)14-17/h4-5,8-11,14,19H,2-3,6-7,12-13H2,1H3.
What are the key properties of 2-ethyl-2-naphthalen-2-ylazepane?
2-ethyl-2-naphthalen-2-ylazepane has a molecular weight of 253.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-naphthalen-2-ylazepane is sourced from PubChem (CID 79119079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).