propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

C13H19N2- — CID 101031528

IUPACpropan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C
InChIInChI=1S/C13H19N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3/q-1
InChIKeyYJOMQLPDSQHSDB-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.41
Rot. Bonds3

About propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (PubChem CID 101031528) has the molecular formula C13H19N2- and a molecular weight of 203.31 g/mol. Its IUPAC name is propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.

Molecular Properties

Compound Namepropan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
PubChem CID101031528
Molecular FormulaC13H19N2-
Molecular Weight203.31 g/mol
Exact Mass203.16
IUPAC Namepropan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C
InChIInChI=1S/C13H19N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3/q-1
InChIKeyYJOMQLPDSQHSDB-UHFFFAOYSA-N
XLogP3.41
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The IUPAC name of propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (CID 101031528) is propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.
What is the SMILES notation for propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The canonical SMILES for propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is CC(C)/N=c1\cccccc1[N-]C(C)C.
What is the InChIKey of propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The InChIKey is YJOMQLPDSQHSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3/q-1.
What are the key properties of propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide has a molecular weight of 203.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is sourced from PubChem (CID 101031528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).