1,4,5,5,7-pentamethyl-1,4-diazepane

C10H22N2 — CID 139454004

IUPAC1,4,5,5,7-pentamethyl-1,4-diazepane
SMILESCC1CC(C)(C)N(C)CCN1C
InChIInChI=1S/C10H22N2/c1-9-8-10(2,3)12(5)7-6-11(9)4/h9H,6-8H2,1-5H3
InChIKeyBHUPULPSCWDCMP-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds

About 1,4,5,5,7-pentamethyl-1,4-diazepane

1,4,5,5,7-pentamethyl-1,4-diazepane (PubChem CID 139454004) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1,4,5,5,7-pentamethyl-1,4-diazepane.

Molecular Properties

Compound Name1,4,5,5,7-pentamethyl-1,4-diazepane
PubChem CID139454004
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1,4,5,5,7-pentamethyl-1,4-diazepane
SMILESCC1CC(C)(C)N(C)CCN1C
InChIInChI=1S/C10H22N2/c1-9-8-10(2,3)12(5)7-6-11(9)4/h9H,6-8H2,1-5H3
InChIKeyBHUPULPSCWDCMP-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5,7-pentamethyl-1,4-diazepane?
The IUPAC name of 1,4,5,5,7-pentamethyl-1,4-diazepane (CID 139454004) is 1,4,5,5,7-pentamethyl-1,4-diazepane.
What is the SMILES notation for 1,4,5,5,7-pentamethyl-1,4-diazepane?
The canonical SMILES for 1,4,5,5,7-pentamethyl-1,4-diazepane is CC1CC(C)(C)N(C)CCN1C.
What is the InChIKey of 1,4,5,5,7-pentamethyl-1,4-diazepane?
The InChIKey is BHUPULPSCWDCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-8-10(2,3)12(5)7-6-11(9)4/h9H,6-8H2,1-5H3.
What are the key properties of 1,4,5,5,7-pentamethyl-1,4-diazepane?
1,4,5,5,7-pentamethyl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,7-pentamethyl-1,4-diazepane is sourced from PubChem (CID 139454004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).