6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine

C12H24N2 — CID 154422676

IUPAC6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine
SMILESCCCN1C=C(C)CN(CCC)CC1
InChIInChI=1S/C12H24N2/c1-4-6-13-8-9-14(7-5-2)11-12(3)10-13/h10H,4-9,11H2,1-3H3
InChIKeyLOSQTMBTAJYZEN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.33
Rot. Bonds4

About 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine

6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine (PubChem CID 154422676) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine.

Molecular Properties

Compound Name6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine
PubChem CID154422676
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine
SMILESCCCN1C=C(C)CN(CCC)CC1
InChIInChI=1S/C12H24N2/c1-4-6-13-8-9-14(7-5-2)11-12(3)10-13/h10H,4-9,11H2,1-3H3
InChIKeyLOSQTMBTAJYZEN-UHFFFAOYSA-N
XLogP2.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine?
The IUPAC name of 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine (CID 154422676) is 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine.
What is the SMILES notation for 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine?
The canonical SMILES for 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine is CCCN1C=C(C)CN(CCC)CC1.
What is the InChIKey of 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine?
The InChIKey is LOSQTMBTAJYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-13-8-9-14(7-5-2)11-12(3)10-13/h10H,4-9,11H2,1-3H3.
What are the key properties of 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine?
6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine has a molecular weight of 196.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dipropyl-3,5-dihydro-2H-1,4-diazepine is sourced from PubChem (CID 154422676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).