4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine

C9H18N2 — CID 89354940

IUPAC4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine
SMILESC=C1N(C(C)C)CNC1(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11-6-10-9(4,5)8(11)3/h7,10H,3,6H2,1-2,4-5H3
InChIKeyBKKIATQBVUPCFC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds1

About 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine

4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine (PubChem CID 89354940) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine
PubChem CID89354940
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine
SMILESC=C1N(C(C)C)CNC1(C)C
InChIInChI=1S/C9H18N2/c1-7(2)11-6-10-9(4,5)8(11)3/h7,10H,3,6H2,1-2,4-5H3
InChIKeyBKKIATQBVUPCFC-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine?
The IUPAC name of 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine (CID 89354940) is 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine?
The canonical SMILES for 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine is C=C1N(C(C)C)CNC1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine?
The InChIKey is BKKIATQBVUPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-6-10-9(4,5)8(11)3/h7,10H,3,6H2,1-2,4-5H3.
What are the key properties of 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine?
4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine has a molecular weight of 154.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-1-propan-2-ylimidazolidine is sourced from PubChem (CID 89354940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).