4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine

C19H40N2 — CID 70378397

IUPAC4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine
SMILESCCCCCCCCCCCC1(C(C)C)NCC(C)(C)N1
InChIInChI=1S/C19H40N2/c1-6-7-8-9-10-11-12-13-14-15-19(17(2)3)20-16-18(4,5)21-19/h17,20-21H,6-16H2,1-5H3
InChIKeyIDUPHFOEFGXUMS-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.23
Rot. Bonds11

About 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine

4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine (PubChem CID 70378397) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine
PubChem CID70378397
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine
SMILESCCCCCCCCCCCC1(C(C)C)NCC(C)(C)N1
InChIInChI=1S/C19H40N2/c1-6-7-8-9-10-11-12-13-14-15-19(17(2)3)20-16-18(4,5)21-19/h17,20-21H,6-16H2,1-5H3
InChIKeyIDUPHFOEFGXUMS-UHFFFAOYSA-N
XLogP5.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.23
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 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine?
The IUPAC name of 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine (CID 70378397) is 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine is CCCCCCCCCCCC1(C(C)C)NCC(C)(C)N1.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine?
The InChIKey is IDUPHFOEFGXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-7-8-9-10-11-12-13-14-15-19(17(2)3)20-16-18(4,5)21-19/h17,20-21H,6-16H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine?
4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine has a molecular weight of 296.54 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine is sourced from PubChem (CID 70378397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).