3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane

C18H28N2 — CID 82936014

IUPAC3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane
SMILESCC1CCNC(Cc2ccccc2)CN1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-11-12-19-17(13-16-7-3-2-4-8-16)14-20(15)18-9-5-6-10-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyRXPIXEFDSWCWHK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.22
Rot. Bonds3

About 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane

3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane (PubChem CID 82936014) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane
PubChem CID82936014
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane
SMILESCC1CCNC(Cc2ccccc2)CN1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-11-12-19-17(13-16-7-3-2-4-8-16)14-20(15)18-9-5-6-10-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyRXPIXEFDSWCWHK-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane?
The IUPAC name of 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane (CID 82936014) is 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane.
What is the SMILES notation for 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane?
The canonical SMILES for 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane is CC1CCNC(Cc2ccccc2)CN1C1CCCC1.
What is the InChIKey of 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane?
The InChIKey is RXPIXEFDSWCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-11-12-19-17(13-16-7-3-2-4-8-16)14-20(15)18-9-5-6-10-18/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane?
3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane has a molecular weight of 272.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopentyl-7-methyl-1,4-diazepane is sourced from PubChem (CID 82936014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).