6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine

C14H24N2 — CID 174268156

IUPAC6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine
SMILESCCCC(C)(CCC)C1=CN=CC(C)C=N1
InChIInChI=1S/C14H24N2/c1-5-7-14(4,8-6-2)13-11-15-9-12(3)10-16-13/h9-12H,5-8H2,1-4H3
InChIKeyORDFBFBVVONXLU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.23
Rot. Bonds5

About 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine

6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine (PubChem CID 174268156) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine.

Molecular Properties

Compound Name6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine
PubChem CID174268156
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine
SMILESCCCC(C)(CCC)C1=CN=CC(C)C=N1
InChIInChI=1S/C14H24N2/c1-5-7-14(4,8-6-2)13-11-15-9-12(3)10-16-13/h9-12H,5-8H2,1-4H3
InChIKeyORDFBFBVVONXLU-UHFFFAOYSA-N
XLogP4.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine?
The IUPAC name of 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine (CID 174268156) is 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine.
What is the SMILES notation for 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine?
The canonical SMILES for 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine is CCCC(C)(CCC)C1=CN=CC(C)C=N1.
What is the InChIKey of 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine?
The InChIKey is ORDFBFBVVONXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-14(4,8-6-2)13-11-15-9-12(3)10-16-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine?
6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine has a molecular weight of 220.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine is sourced from PubChem (CID 174268156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).