ethane;2,5,5,7-tetramethyl-1,4-diazepine

C11H20N2 — CID 142254165

IUPACethane;2,5,5,7-tetramethyl-1,4-diazepine
SMILESCC.CC1=CC(C)(C)N=CC(C)=N1
InChIInChI=1S/C9H14N2.C2H6/c1-7-5-9(3,4)10-6-8(2)11-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyAHYJKKDYGRLMNK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds

About ethane;2,5,5,7-tetramethyl-1,4-diazepine

ethane;2,5,5,7-tetramethyl-1,4-diazepine (PubChem CID 142254165) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2,5,5,7-tetramethyl-1,4-diazepine.

Molecular Properties

Compound Nameethane;2,5,5,7-tetramethyl-1,4-diazepine
PubChem CID142254165
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;2,5,5,7-tetramethyl-1,4-diazepine
SMILESCC.CC1=CC(C)(C)N=CC(C)=N1
InChIInChI=1S/C9H14N2.C2H6/c1-7-5-9(3,4)10-6-8(2)11-7;1-2/h5-6H,1-4H3;1-2H3
InChIKeyAHYJKKDYGRLMNK-UHFFFAOYSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-pent-2-en-2-yl]butan-1-imine
CID 90048520
2,2,5,7,7-Pentamethyl-1,4-diazocine
CID 90732409
2,3,5,5,7-Pentamethyl-1,4-diazepine
CID 90891375
5,5,7-Trimethyl-1,4-diazepine
CID 101208544
1-N-(3,6-dimethylhepta-1,3,5-trien-2-yl)-2-N-methylpropane-1,2-diimine
CID 123154836
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
5-But-1-enyl-5-methyl-1,4-diazepine
CID 123256300
2-N-(2,4-dimethylpenta-1,3-dien-3-yl)-1-N-ethylbutane-1,2-diimine
CID 123988997
7-ethyl-2-methyl-5H-1,4-diazepine
CID 130419040
N-[(Z)-1-(4H-azepin-7-yl)but-1-enyl]prop-2-en-1-imine
CID 138526055
N-[(Z)-2-methylhex-3-en-3-yl]propan-1-imine
CID 138655384
(2E)-2-ethylidene-3-N-[(Z)-pent-2-en-3-yl]-1-N-prop-1-en-2-ylbutane-1,3-diimine
CID 139420260

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,5,7-tetramethyl-1,4-diazepine?
The IUPAC name of ethane;2,5,5,7-tetramethyl-1,4-diazepine (CID 142254165) is ethane;2,5,5,7-tetramethyl-1,4-diazepine.
What is the SMILES notation for ethane;2,5,5,7-tetramethyl-1,4-diazepine?
The canonical SMILES for ethane;2,5,5,7-tetramethyl-1,4-diazepine is CC.CC1=CC(C)(C)N=CC(C)=N1.
What is the InChIKey of ethane;2,5,5,7-tetramethyl-1,4-diazepine?
The InChIKey is AHYJKKDYGRLMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-7-5-9(3,4)10-6-8(2)11-7;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;2,5,5,7-tetramethyl-1,4-diazepine?
ethane;2,5,5,7-tetramethyl-1,4-diazepine has a molecular weight of 180.29 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,5,7-tetramethyl-1,4-diazepine is sourced from PubChem (CID 142254165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).