2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine

C14H20N2 — CID 134442647

IUPAC2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine
SMILESC=c1cc[nH]c(=C)nc(C(C)CCC)cc1
InChIInChI=1S/C14H20N2/c1-5-6-12(3)14-8-7-11(2)9-10-15-13(4)16-14/h7-10,12,15H,2,4-6H2,1,3H3/b8-7-,10-9-,16-14+
InChIKeyOPPKVBFPUPDAGD-BQCGHWIMSA-N
MW216.33 g/mol
LogP2.26
Rot. Bonds3

About 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine

2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine (PubChem CID 134442647) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine.

Molecular Properties

Compound Name2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine
PubChem CID134442647
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine
SMILESC=c1cc[nH]c(=C)nc(C(C)CCC)cc1
InChIInChI=1S/C14H20N2/c1-5-6-12(3)14-8-7-11(2)9-10-15-13(4)16-14/h7-10,12,15H,2,4-6H2,1,3H3/b8-7-,10-9-,16-14+
InChIKeyOPPKVBFPUPDAGD-BQCGHWIMSA-N
XLogP2.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine?
The IUPAC name of 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine (CID 134442647) is 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine.
What is the SMILES notation for 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine?
The canonical SMILES for 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine is C=c1cc[nH]c(=C)nc(C(C)CCC)cc1.
What is the InChIKey of 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine?
The InChIKey is OPPKVBFPUPDAGD-BQCGHWIMSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-6-12(3)14-8-7-11(2)9-10-15-13(4)16-14/h7-10,12,15H,2,4-6H2,1,3H3/b8-7-,10-9-,16-14+.
What are the key properties of 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine?
2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine has a molecular weight of 216.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylidene-4-pentan-2-yl-1H-1,3-diazonine is sourced from PubChem (CID 134442647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).