1,2,2,4-tetramethyl-1,4-diazepane

C9H20N2 — CID 123578745

IUPAC1,2,2,4-tetramethyl-1,4-diazepane
SMILESCN1CCCN(C)C(C)(C)C1
InChIInChI=1S/C9H20N2/c1-9(2)8-10(3)6-5-7-11(9)4/h5-8H2,1-4H3
InChIKeyNRSRMUVUFQSWFM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.03
Rot. Bonds

About 1,2,2,4-tetramethyl-1,4-diazepane

1,2,2,4-tetramethyl-1,4-diazepane (PubChem CID 123578745) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-1,4-diazepane.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-1,4-diazepane
PubChem CID123578745
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1,2,2,4-tetramethyl-1,4-diazepane
SMILESCN1CCCN(C)C(C)(C)C1
InChIInChI=1S/C9H20N2/c1-9(2)8-10(3)6-5-7-11(9)4/h5-8H2,1-4H3
InChIKeyNRSRMUVUFQSWFM-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-1,4-diazepane?
The IUPAC name of 1,2,2,4-tetramethyl-1,4-diazepane (CID 123578745) is 1,2,2,4-tetramethyl-1,4-diazepane.
What is the SMILES notation for 1,2,2,4-tetramethyl-1,4-diazepane?
The canonical SMILES for 1,2,2,4-tetramethyl-1,4-diazepane is CN1CCCN(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4-tetramethyl-1,4-diazepane?
The InChIKey is NRSRMUVUFQSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2)8-10(3)6-5-7-11(9)4/h5-8H2,1-4H3.
What are the key properties of 1,2,2,4-tetramethyl-1,4-diazepane?
1,2,2,4-tetramethyl-1,4-diazepane has a molecular weight of 156.27 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-1,4-diazepane is sourced from PubChem (CID 123578745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).