1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane

C14H20Br2N2 — CID 64944805

IUPAC1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(c2ccc(Br)cc2Br)CCCN1
InChIInChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyWFPYNVJAPSIAOF-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.04
Rot. Bonds2

About 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane

1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 64944805) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
PubChem CID64944805
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(c2ccc(Br)cc2Br)CCCN1
InChIInChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyWFPYNVJAPSIAOF-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane (CID 64944805) is 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(c2ccc(Br)cc2Br)CCCN1.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is WFPYNVJAPSIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 376.14 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64944805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).