1,6-dimethyl-1,4-diazepane

C7H16N2 — CID 50987799

IUPAC1,6-dimethyl-1,4-diazepane
SMILESCC1CNCCN(C)C1
InChIInChI=1S/C7H16N2/c1-7-5-8-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeySFCRWIPFNLBDHS-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.16
Rot. Bonds

About 1,6-dimethyl-1,4-diazepane

1,6-dimethyl-1,4-diazepane (PubChem CID 50987799) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,6-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1,6-dimethyl-1,4-diazepane
PubChem CID50987799
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1,6-dimethyl-1,4-diazepane
SMILESCC1CNCCN(C)C1
InChIInChI=1S/C7H16N2/c1-7-5-8-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKeySFCRWIPFNLBDHS-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,4-diazepane?
The IUPAC name of 1,6-dimethyl-1,4-diazepane (CID 50987799) is 1,6-dimethyl-1,4-diazepane.
What is the SMILES notation for 1,6-dimethyl-1,4-diazepane?
The canonical SMILES for 1,6-dimethyl-1,4-diazepane is CC1CNCCN(C)C1.
What is the InChIKey of 1,6-dimethyl-1,4-diazepane?
The InChIKey is SFCRWIPFNLBDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7-5-8-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,4-diazepane?
1,6-dimethyl-1,4-diazepane has a molecular weight of 128.22 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,4-diazepane is sourced from PubChem (CID 50987799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).