1,2,2,7,7-pentamethyl-1,4-diazepane

C10H22N2 — CID 30155

IUPAC1,2,2,7,7-pentamethyl-1,4-diazepane
SMILESCN1C(C)(C)CCNCC1(C)C
InChIInChI=1S/C10H22N2/c1-9(2)6-7-11-8-10(3,4)12(9)5/h11H,6-8H2,1-5H3
InChIKeyGLCAWCBOIKYYSW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds

About 1,2,2,7,7-pentamethyl-1,4-diazepane

1,2,2,7,7-pentamethyl-1,4-diazepane (PubChem CID 30155) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1,2,2,7,7-pentamethyl-1,4-diazepane.

Molecular Properties

Compound Name1,2,2,7,7-pentamethyl-1,4-diazepane
PubChem CID30155
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1,2,2,7,7-pentamethyl-1,4-diazepane
SMILESCN1C(C)(C)CCNCC1(C)C
InChIInChI=1S/C10H22N2/c1-9(2)6-7-11-8-10(3,4)12(9)5/h11H,6-8H2,1-5H3
InChIKeyGLCAWCBOIKYYSW-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,7,7-pentamethyl-1,4-diazepane?
The IUPAC name of 1,2,2,7,7-pentamethyl-1,4-diazepane (CID 30155) is 1,2,2,7,7-pentamethyl-1,4-diazepane.
What is the SMILES notation for 1,2,2,7,7-pentamethyl-1,4-diazepane?
The canonical SMILES for 1,2,2,7,7-pentamethyl-1,4-diazepane is CN1C(C)(C)CCNCC1(C)C.
What is the InChIKey of 1,2,2,7,7-pentamethyl-1,4-diazepane?
The InChIKey is GLCAWCBOIKYYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)6-7-11-8-10(3,4)12(9)5/h11H,6-8H2,1-5H3.
What are the key properties of 1,2,2,7,7-pentamethyl-1,4-diazepane?
1,2,2,7,7-pentamethyl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,7,7-pentamethyl-1,4-diazepane is sourced from PubChem (CID 30155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).