1-tert-butyl-5-methylidene-1,4-diazepane

C10H20N2 — CID 58311615

IUPAC1-tert-butyl-5-methylidene-1,4-diazepane
SMILESC=C1CCN(C(C)(C)C)CCN1
InChIInChI=1S/C10H20N2/c1-9-5-7-12(8-6-11-9)10(2,3)4/h11H,1,5-8H2,2-4H3
InChIKeyDECHPNGJPJVWPL-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.59
Rot. Bonds

About 1-tert-butyl-5-methylidene-1,4-diazepane

1-tert-butyl-5-methylidene-1,4-diazepane (PubChem CID 58311615) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-tert-butyl-5-methylidene-1,4-diazepane.

Molecular Properties

Compound Name1-tert-butyl-5-methylidene-1,4-diazepane
PubChem CID58311615
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-tert-butyl-5-methylidene-1,4-diazepane
SMILESC=C1CCN(C(C)(C)C)CCN1
InChIInChI=1S/C10H20N2/c1-9-5-7-12(8-6-11-9)10(2,3)4/h11H,1,5-8H2,2-4H3
InChIKeyDECHPNGJPJVWPL-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methylidene-1,4-diazepane?
The IUPAC name of 1-tert-butyl-5-methylidene-1,4-diazepane (CID 58311615) is 1-tert-butyl-5-methylidene-1,4-diazepane.
What is the SMILES notation for 1-tert-butyl-5-methylidene-1,4-diazepane?
The canonical SMILES for 1-tert-butyl-5-methylidene-1,4-diazepane is C=C1CCN(C(C)(C)C)CCN1.
What is the InChIKey of 1-tert-butyl-5-methylidene-1,4-diazepane?
The InChIKey is DECHPNGJPJVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-5-7-12(8-6-11-9)10(2,3)4/h11H,1,5-8H2,2-4H3.
What are the key properties of 1-tert-butyl-5-methylidene-1,4-diazepane?
1-tert-butyl-5-methylidene-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methylidene-1,4-diazepane is sourced from PubChem (CID 58311615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).