1-methyldiazepane

C6H14N2 — CID 22352624

IUPAC1-methyldiazepane
SMILESCN1CCCCCN1
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5-7-8/h7H,2-6H2,1H3
InChIKeyGCJJZUVWKUEJGL-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.61
Rot. Bonds

About 1-methyldiazepane

1-methyldiazepane (PubChem CID 22352624) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-methyldiazepane.

Molecular Properties

Compound Name1-methyldiazepane
PubChem CID22352624
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-methyldiazepane
SMILESCN1CCCCCN1
InChIInChI=1S/C6H14N2/c1-8-6-4-2-3-5-7-8/h7H,2-6H2,1H3
InChIKeyGCJJZUVWKUEJGL-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyldiazepane?
The IUPAC name of 1-methyldiazepane (CID 22352624) is 1-methyldiazepane.
What is the SMILES notation for 1-methyldiazepane?
The canonical SMILES for 1-methyldiazepane is CN1CCCCCN1.
What is the InChIKey of 1-methyldiazepane?
The InChIKey is GCJJZUVWKUEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-8-6-4-2-3-5-7-8/h7H,2-6H2,1H3.
What are the key properties of 1-methyldiazepane?
1-methyldiazepane has a molecular weight of 114.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyldiazepane is sourced from PubChem (CID 22352624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).