1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane

C15H21ClN2 — CID 15137215

IUPAC1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane
SMILESClc1cccc2c1CC(N1CCCNCC1)CC2
InChIInChI=1S/C15H21ClN2/c16-15-4-1-3-12-5-6-13(11-14(12)15)18-9-2-7-17-8-10-18/h1,3-4,13,17H,2,5-11H2
InChIKeyYUDFNYCWJSTXBV-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.49
Rot. Bonds1

About 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane

1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane (PubChem CID 15137215) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane
PubChem CID15137215
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane
SMILESClc1cccc2c1CC(N1CCCNCC1)CC2
InChIInChI=1S/C15H21ClN2/c16-15-4-1-3-12-5-6-13(11-14(12)15)18-9-2-7-17-8-10-18/h1,3-4,13,17H,2,5-11H2
InChIKeyYUDFNYCWJSTXBV-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane?
The IUPAC name of 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane (CID 15137215) is 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane is Clc1cccc2c1CC(N1CCCNCC1)CC2.
What is the InChIKey of 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane?
The InChIKey is YUDFNYCWJSTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-15-4-1-3-12-5-6-13(11-14(12)15)18-9-2-7-17-8-10-18/h1,3-4,13,17H,2,5-11H2.
What are the key properties of 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane?
1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane has a molecular weight of 264.80 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane is sourced from PubChem (CID 15137215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).