5-methylidene-1-propan-2-yl-1,4-diazepane

C9H18N2 — CID 59305284

IUPAC5-methylidene-1-propan-2-yl-1,4-diazepane
SMILESC=C1CCN(C(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8(2)11-6-4-9(3)10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyGWTCJEIJNQHEBI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.20
Rot. Bonds1

About 5-methylidene-1-propan-2-yl-1,4-diazepane

5-methylidene-1-propan-2-yl-1,4-diazepane (PubChem CID 59305284) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-methylidene-1-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name5-methylidene-1-propan-2-yl-1,4-diazepane
PubChem CID59305284
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-methylidene-1-propan-2-yl-1,4-diazepane
SMILESC=C1CCN(C(C)C)CCN1
InChIInChI=1S/C9H18N2/c1-8(2)11-6-4-9(3)10-5-7-11/h8,10H,3-7H2,1-2H3
InChIKeyGWTCJEIJNQHEBI-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-propan-2-yl-1,4-diazepane?
The IUPAC name of 5-methylidene-1-propan-2-yl-1,4-diazepane (CID 59305284) is 5-methylidene-1-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 5-methylidene-1-propan-2-yl-1,4-diazepane?
The canonical SMILES for 5-methylidene-1-propan-2-yl-1,4-diazepane is C=C1CCN(C(C)C)CCN1.
What is the InChIKey of 5-methylidene-1-propan-2-yl-1,4-diazepane?
The InChIKey is GWTCJEIJNQHEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)11-6-4-9(3)10-5-7-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-methylidene-1-propan-2-yl-1,4-diazepane?
5-methylidene-1-propan-2-yl-1,4-diazepane has a molecular weight of 154.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 59305284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).