2,3,5,5,7-pentamethyl-1,4-diazepine

C10H16N2 — CID 90891375

IUPAC2,3,5,5,7-pentamethyl-1,4-diazepine
SMILESCC1=CC(C)(C)N=C(C)C(C)=N1
InChIInChI=1S/C10H16N2/c1-7-6-10(4,5)12-9(3)8(2)11-7/h6H,1-5H3
InChIKeyKLDIWRHRFQIMEB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.60
Rot. Bonds

About 2,3,5,5,7-pentamethyl-1,4-diazepine

2,3,5,5,7-pentamethyl-1,4-diazepine (PubChem CID 90891375) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,5,5,7-pentamethyl-1,4-diazepine.

Molecular Properties

Compound Name2,3,5,5,7-pentamethyl-1,4-diazepine
PubChem CID90891375
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3,5,5,7-pentamethyl-1,4-diazepine
SMILESCC1=CC(C)(C)N=C(C)C(C)=N1
InChIInChI=1S/C10H16N2/c1-7-6-10(4,5)12-9(3)8(2)11-7/h6H,1-5H3
InChIKeyKLDIWRHRFQIMEB-UHFFFAOYSA-N
XLogP2.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-pent-2-en-2-ylpentan-2-imine
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N-(3-methylhexa-1,3-dien-2-yl)butan-2-imine
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N-pent-2-en-2-ylbutan-2-imine
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N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
CID 137466686
ethane;N-[(Z)-4-methylpent-2-en-2-yl]propan-2-imine
CID 142099141
Ethane;2,5,5,7-tetramethyl-1,4-diazepine
CID 142254165
5-Ethenyl-2,5,7-trimethyl-1,4-diazepine;propane
CID 142254167
N-[(Z)-pent-2-en-2-yl]butan-2-imine
CID 142830798
ethane;N-[(Z)-pent-2-en-2-yl]butan-2-imine
CID 143158017
(Z)-N-[(E)-but-2-en-2-yl]-3-methylpent-3-en-2-imine
CID 144246988

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5,7-pentamethyl-1,4-diazepine?
The IUPAC name of 2,3,5,5,7-pentamethyl-1,4-diazepine (CID 90891375) is 2,3,5,5,7-pentamethyl-1,4-diazepine.
What is the SMILES notation for 2,3,5,5,7-pentamethyl-1,4-diazepine?
The canonical SMILES for 2,3,5,5,7-pentamethyl-1,4-diazepine is CC1=CC(C)(C)N=C(C)C(C)=N1.
What is the InChIKey of 2,3,5,5,7-pentamethyl-1,4-diazepine?
The InChIKey is KLDIWRHRFQIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-6-10(4,5)12-9(3)8(2)11-7/h6H,1-5H3.
What are the key properties of 2,3,5,5,7-pentamethyl-1,4-diazepine?
2,3,5,5,7-pentamethyl-1,4-diazepine has a molecular weight of 164.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5,7-pentamethyl-1,4-diazepine is sourced from PubChem (CID 90891375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).