3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane

C19H30N2 — CID 64945183

IUPAC3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane
SMILESc1ccc(CC2CN(CCC3CCCC3)CCCN2)cc1
InChIInChI=1S/C19H30N2/c1-2-9-18(10-3-1)15-19-16-21(13-6-12-20-19)14-11-17-7-4-5-8-17/h1-3,9-10,17,19-20H,4-8,11-16H2
InChIKeyVAWFMVPHHBVBQP-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.47
Rot. Bonds5

About 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane

3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane (PubChem CID 64945183) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane
PubChem CID64945183
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane
SMILESc1ccc(CC2CN(CCC3CCCC3)CCCN2)cc1
InChIInChI=1S/C19H30N2/c1-2-9-18(10-3-1)15-19-16-21(13-6-12-20-19)14-11-17-7-4-5-8-17/h1-3,9-10,17,19-20H,4-8,11-16H2
InChIKeyVAWFMVPHHBVBQP-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519152
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
3-benzyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458848
3-benzyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64858408
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-benzyl-1-[(E)-but-2-enyl]-1,4-diazepane
CID 114013963
3-benzyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 82251351
3-benzyl-1-(3-ethylpentan-3-yl)-1,4-diazepane
CID 65043688
[4-(2-phenylethyl)-1,4-diazepan-2-yl]methanol
CID 82243271
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane?
The IUPAC name of 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane (CID 64945183) is 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane.
What is the SMILES notation for 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane?
The canonical SMILES for 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane is c1ccc(CC2CN(CCC3CCCC3)CCCN2)cc1.
What is the InChIKey of 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane?
The InChIKey is VAWFMVPHHBVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-9-18(10-3-1)15-19-16-21(13-6-12-20-19)14-11-17-7-4-5-8-17/h1-3,9-10,17,19-20H,4-8,11-16H2.
What are the key properties of 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane?
3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane has a molecular weight of 286.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane is sourced from PubChem (CID 64945183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).