2-phenyl-1-propyl-1,4-diazepane

C14H22N2 — CID 82242016

IUPAC2-phenyl-1-propyl-1,4-diazepane
SMILESCCCN1CCCNCC1c1ccccc1
InChIInChI=1S/C14H22N2/c1-2-10-16-11-6-9-15-12-14(16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKeyAQRVQJUEWREZLK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds3

About 2-phenyl-1-propyl-1,4-diazepane

2-phenyl-1-propyl-1,4-diazepane (PubChem CID 82242016) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-phenyl-1-propyl-1,4-diazepane.

Molecular Properties

Compound Name2-phenyl-1-propyl-1,4-diazepane
PubChem CID82242016
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-phenyl-1-propyl-1,4-diazepane
SMILESCCCN1CCCNCC1c1ccccc1
InChIInChI=1S/C14H22N2/c1-2-10-16-11-6-9-15-12-14(16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKeyAQRVQJUEWREZLK-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-1,4-diazepane?
The IUPAC name of 2-phenyl-1-propyl-1,4-diazepane (CID 82242016) is 2-phenyl-1-propyl-1,4-diazepane.
What is the SMILES notation for 2-phenyl-1-propyl-1,4-diazepane?
The canonical SMILES for 2-phenyl-1-propyl-1,4-diazepane is CCCN1CCCNCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-propyl-1,4-diazepane?
The InChIKey is AQRVQJUEWREZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-10-16-11-6-9-15-12-14(16)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3.
What are the key properties of 2-phenyl-1-propyl-1,4-diazepane?
2-phenyl-1-propyl-1,4-diazepane has a molecular weight of 218.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-1,4-diazepane is sourced from PubChem (CID 82242016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).