4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine

C12H22N2 — CID 137433423

IUPAC4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine
SMILESC=C1NC(=CCCCC)NC1C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-8-11-13-10(4)12(14-11)9(2)3/h8-9,12-14H,4-7H2,1-3H3
InChIKeyOXKJMKFVXBGKHR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.75
Rot. Bonds4

About 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine

4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine (PubChem CID 137433423) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine.

Molecular Properties

Compound Name4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine
PubChem CID137433423
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine
SMILESC=C1NC(=CCCCC)NC1C(C)C
InChIInChI=1S/C12H22N2/c1-5-6-7-8-11-13-10(4)12(14-11)9(2)3/h8-9,12-14H,4-7H2,1-3H3
InChIKeyOXKJMKFVXBGKHR-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine?
The IUPAC name of 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine (CID 137433423) is 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine.
What is the SMILES notation for 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine?
The canonical SMILES for 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine is C=C1NC(=CCCCC)NC1C(C)C.
What is the InChIKey of 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine?
The InChIKey is OXKJMKFVXBGKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-7-8-11-13-10(4)12(14-11)9(2)3/h8-9,12-14H,4-7H2,1-3H3.
What are the key properties of 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine?
4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine has a molecular weight of 194.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-pentylidene-5-propan-2-ylimidazolidine is sourced from PubChem (CID 137433423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).