7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine

C15H28N2 — CID 137382437

IUPAC7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine
SMILESCN1CCC=C(CCCC2CCCCC2)NC1
InChIInChI=1S/C15H28N2/c1-17-12-6-11-15(16-13-17)10-5-9-14-7-3-2-4-8-14/h11,14,16H,2-10,12-13H2,1H3
InChIKeyJUPVIPZZAUXAHA-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.50
Rot. Bonds4

About 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine

7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine (PubChem CID 137382437) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine.

Molecular Properties

Compound Name7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine
PubChem CID137382437
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine
SMILESCN1CCC=C(CCCC2CCCCC2)NC1
InChIInChI=1S/C15H28N2/c1-17-12-6-11-15(16-13-17)10-5-9-14-7-3-2-4-8-14/h11,14,16H,2-10,12-13H2,1H3
InChIKeyJUPVIPZZAUXAHA-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine?
The IUPAC name of 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine (CID 137382437) is 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine.
What is the SMILES notation for 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine?
The canonical SMILES for 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine is CN1CCC=C(CCCC2CCCCC2)NC1.
What is the InChIKey of 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine?
The InChIKey is JUPVIPZZAUXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-17-12-6-11-15(16-13-17)10-5-9-14-7-3-2-4-8-14/h11,14,16H,2-10,12-13H2,1H3.
What are the key properties of 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine?
7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine has a molecular weight of 236.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclohexylpropyl)-3-methyl-1,2,4,5-tetrahydro-1,3-diazepine is sourced from PubChem (CID 137382437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).