2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane

C12H20N2 — CID 90244254

IUPAC2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane
SMILESC=C1NCCC(=C(C)C)C(=C(C)C)N1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-7-13-10(5)14-12(11)9(3)4/h13-14H,5-7H2,1-4H3
InChIKeyNJWYUGALYKRDBS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.67
Rot. Bonds

About 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane

2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane (PubChem CID 90244254) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane.

Molecular Properties

Compound Name2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane
PubChem CID90244254
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane
SMILESC=C1NCCC(=C(C)C)C(=C(C)C)N1
InChIInChI=1S/C12H20N2/c1-8(2)11-6-7-13-10(5)14-12(11)9(3)4/h13-14H,5-7H2,1-4H3
InChIKeyNJWYUGALYKRDBS-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane?
The IUPAC name of 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane (CID 90244254) is 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane.
What is the SMILES notation for 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane?
The canonical SMILES for 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane is C=C1NCCC(=C(C)C)C(=C(C)C)N1.
What is the InChIKey of 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane?
The InChIKey is NJWYUGALYKRDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)11-6-7-13-10(5)14-12(11)9(3)4/h13-14H,5-7H2,1-4H3.
What are the key properties of 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane?
2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane has a molecular weight of 192.31 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,5-di(propan-2-ylidene)-1,3-diazepane is sourced from PubChem (CID 90244254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).