1,2,5,7-tetramethyl-1,4-diazepane

C9H20N2 — CID 22088644

IUPAC1,2,5,7-tetramethyl-1,4-diazepane
SMILESCC1CC(C)N(C)C(C)CN1
InChIInChI=1S/C9H20N2/c1-7-5-8(2)11(4)9(3)6-10-7/h7-10H,5-6H2,1-4H3
InChIKeyWJNGMWHCZJNWFB-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds

About 1,2,5,7-tetramethyl-1,4-diazepane

1,2,5,7-tetramethyl-1,4-diazepane (PubChem CID 22088644) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,2,5,7-tetramethyl-1,4-diazepane.

Molecular Properties

Compound Name1,2,5,7-tetramethyl-1,4-diazepane
PubChem CID22088644
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1,2,5,7-tetramethyl-1,4-diazepane
SMILESCC1CC(C)N(C)C(C)CN1
InChIInChI=1S/C9H20N2/c1-7-5-8(2)11(4)9(3)6-10-7/h7-10H,5-6H2,1-4H3
InChIKeyWJNGMWHCZJNWFB-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
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4-methyl-3-azabicyclo[4.1.0]heptane
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N,1,2,6-tetramethylpiperidin-4-amine
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4-bromo-2-methylpyrrolidine
CID 90961953
oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
CID 155903876
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
(2R,4S)-2-methylpiperidine-4-thiol
CID 94843330

Frequently Asked Questions

What is the IUPAC name of 1,2,5,7-tetramethyl-1,4-diazepane?
The IUPAC name of 1,2,5,7-tetramethyl-1,4-diazepane (CID 22088644) is 1,2,5,7-tetramethyl-1,4-diazepane.
What is the SMILES notation for 1,2,5,7-tetramethyl-1,4-diazepane?
The canonical SMILES for 1,2,5,7-tetramethyl-1,4-diazepane is CC1CC(C)N(C)C(C)CN1.
What is the InChIKey of 1,2,5,7-tetramethyl-1,4-diazepane?
The InChIKey is WJNGMWHCZJNWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7-5-8(2)11(4)9(3)6-10-7/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2,5,7-tetramethyl-1,4-diazepane?
1,2,5,7-tetramethyl-1,4-diazepane has a molecular weight of 156.27 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,7-tetramethyl-1,4-diazepane is sourced from PubChem (CID 22088644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).