1,3,3-trimethyl-1,4-diazepane

C8H18N2 — CID 64870871

IUPAC1,3,3-trimethyl-1,4-diazepane
SMILESCN1CCCNC(C)(C)C1
InChIInChI=1S/C8H18N2/c1-8(2)7-10(3)6-4-5-9-8/h9H,4-7H2,1-3H3
InChIKeyGNFASXVYRCRJLO-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds

About 1,3,3-trimethyl-1,4-diazepane

1,3,3-trimethyl-1,4-diazepane (PubChem CID 64870871) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name1,3,3-trimethyl-1,4-diazepane
PubChem CID64870871
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1,3,3-trimethyl-1,4-diazepane
SMILESCN1CCCNC(C)(C)C1
InChIInChI=1S/C8H18N2/c1-8(2)7-10(3)6-4-5-9-8/h9H,4-7H2,1-3H3
InChIKeyGNFASXVYRCRJLO-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-1,4-diazepane?
The IUPAC name of 1,3,3-trimethyl-1,4-diazepane (CID 64870871) is 1,3,3-trimethyl-1,4-diazepane.
What is the SMILES notation for 1,3,3-trimethyl-1,4-diazepane?
The canonical SMILES for 1,3,3-trimethyl-1,4-diazepane is CN1CCCNC(C)(C)C1.
What is the InChIKey of 1,3,3-trimethyl-1,4-diazepane?
The InChIKey is GNFASXVYRCRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)7-10(3)6-4-5-9-8/h9H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-1,4-diazepane?
1,3,3-trimethyl-1,4-diazepane has a molecular weight of 142.25 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-1,4-diazepane is sourced from PubChem (CID 64870871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).