6-methyl-6-propan-2-yl-1,4-diazepine

C9H14N2 — CID 126688078

IUPAC6-methyl-6-propan-2-yl-1,4-diazepine
SMILESCC(C)C1(C)C=NC=CN=C1
InChIInChI=1S/C9H14N2/c1-8(2)9(3)6-10-4-5-11-7-9/h4-8H,1-3H3
InChIKeyJCCNCWDNQLTXIF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.28
Rot. Bonds1

About 6-methyl-6-propan-2-yl-1,4-diazepine

6-methyl-6-propan-2-yl-1,4-diazepine (PubChem CID 126688078) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yl-1,4-diazepine.

Molecular Properties

Compound Name6-methyl-6-propan-2-yl-1,4-diazepine
PubChem CID126688078
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-methyl-6-propan-2-yl-1,4-diazepine
SMILESCC(C)C1(C)C=NC=CN=C1
InChIInChI=1S/C9H14N2/c1-8(2)9(3)6-10-4-5-11-7-9/h4-8H,1-3H3
InChIKeyJCCNCWDNQLTXIF-UHFFFAOYSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yl-1,4-diazepine?
The IUPAC name of 6-methyl-6-propan-2-yl-1,4-diazepine (CID 126688078) is 6-methyl-6-propan-2-yl-1,4-diazepine.
What is the SMILES notation for 6-methyl-6-propan-2-yl-1,4-diazepine?
The canonical SMILES for 6-methyl-6-propan-2-yl-1,4-diazepine is CC(C)C1(C)C=NC=CN=C1.
What is the InChIKey of 6-methyl-6-propan-2-yl-1,4-diazepine?
The InChIKey is JCCNCWDNQLTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8(2)9(3)6-10-4-5-11-7-9/h4-8H,1-3H3.
What are the key properties of 6-methyl-6-propan-2-yl-1,4-diazepine?
6-methyl-6-propan-2-yl-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yl-1,4-diazepine is sourced from PubChem (CID 126688078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).