ethane;4,5,7-trimethyl-5H-1,3-diazepine

C10H18N2 — CID 142218551

IUPACethane;4,5,7-trimethyl-5H-1,3-diazepine
SMILESCC.CC1=CC(C)C(C)=NC=N1
InChIInChI=1S/C8H12N2.C2H6/c1-6-4-7(2)9-5-10-8(6)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyFZZWPHMTOGHVQX-UHFFFAOYSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds

About ethane;4,5,7-trimethyl-5H-1,3-diazepine

ethane;4,5,7-trimethyl-5H-1,3-diazepine (PubChem CID 142218551) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;4,5,7-trimethyl-5H-1,3-diazepine.

Molecular Properties

Compound Nameethane;4,5,7-trimethyl-5H-1,3-diazepine
PubChem CID142218551
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;4,5,7-trimethyl-5H-1,3-diazepine
SMILESCC.CC1=CC(C)C(C)=NC=N1
InChIInChI=1S/C8H12N2.C2H6/c1-6-4-7(2)9-5-10-8(6)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyFZZWPHMTOGHVQX-UHFFFAOYSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4,5,7-trimethyl-5H-1,3-diazepine?
The IUPAC name of ethane;4,5,7-trimethyl-5H-1,3-diazepine (CID 142218551) is ethane;4,5,7-trimethyl-5H-1,3-diazepine.
What is the SMILES notation for ethane;4,5,7-trimethyl-5H-1,3-diazepine?
The canonical SMILES for ethane;4,5,7-trimethyl-5H-1,3-diazepine is CC.CC1=CC(C)C(C)=NC=N1.
What is the InChIKey of ethane;4,5,7-trimethyl-5H-1,3-diazepine?
The InChIKey is FZZWPHMTOGHVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-6-4-7(2)9-5-10-8(6)3;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;4,5,7-trimethyl-5H-1,3-diazepine?
ethane;4,5,7-trimethyl-5H-1,3-diazepine has a molecular weight of 166.27 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,7-trimethyl-5H-1,3-diazepine is sourced from PubChem (CID 142218551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).