5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane

C12H22N2 — CID 142544792

IUPAC5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane
SMILESCC.CC(C)C1=NC=CC(C)(C)C=N1
InChIInChI=1S/C10H16N2.C2H6/c1-8(2)9-11-6-5-10(3,4)7-12-9;1-2/h5-8H,1-4H3;1-2H3
InChIKeyKVGSTHLUNOKKSM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane

5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane (PubChem CID 142544792) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane
PubChem CID142544792
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane
SMILESCC.CC(C)C1=NC=CC(C)(C)C=N1
InChIInChI=1S/C10H16N2.C2H6/c1-8(2)9-11-6-5-10(3,4)7-12-9;1-2/h5-8H,1-4H3;1-2H3
InChIKeyKVGSTHLUNOKKSM-UHFFFAOYSA-N
XLogP3.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane (CID 142544792) is 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane is CC.CC(C)C1=NC=CC(C)(C)C=N1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane?
The InChIKey is KVGSTHLUNOKKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-8(2)9-11-6-5-10(3,4)7-12-9;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane?
5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine;ethane is sourced from PubChem (CID 142544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).