3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane

C18H24N2 — CID 64949149

IUPAC3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
SMILESCCC1(C)CN(c2ccc3ccccc3c2)CCCN1
InChIInChI=1S/C18H24N2/c1-3-18(2)14-20(12-6-11-19-18)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,19H,3,6,11-12,14H2,1-2H3
InChIKeyNIJGBPYKDTWEBM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.81
Rot. Bonds2

About 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane

3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane (PubChem CID 64949149) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
PubChem CID64949149
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
SMILESCCC1(C)CN(c2ccc3ccccc3c2)CCCN1
InChIInChI=1S/C18H24N2/c1-3-18(2)14-20(12-6-11-19-18)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,19H,3,6,11-12,14H2,1-2H3
InChIKeyNIJGBPYKDTWEBM-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane (CID 64949149) is 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane is CCC1(C)CN(c2ccc3ccccc3c2)CCCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane?
The InChIKey is NIJGBPYKDTWEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-18(2)14-20(12-6-11-19-18)17-10-9-15-7-4-5-8-16(15)13-17/h4-5,7-10,13,19H,3,6,11-12,14H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane?
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane has a molecular weight of 268.40 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane is sourced from PubChem (CID 64949149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).