1-tert-butyl-3-methylimidazolidine

C8H18N2 — CID 89297174

IUPAC1-tert-butyl-3-methylimidazolidine
SMILESCN1CCN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2/c1-8(2,3)10-6-5-9(4)7-10/h5-7H2,1-4H3
InChIKeyFXQIADWSVFRKNQ-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.99
Rot. Bonds

About 1-tert-butyl-3-methylimidazolidine

1-tert-butyl-3-methylimidazolidine (PubChem CID 89297174) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-tert-butyl-3-methylimidazolidine.

Molecular Properties

Compound Name1-tert-butyl-3-methylimidazolidine
PubChem CID89297174
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-tert-butyl-3-methylimidazolidine
SMILESCN1CCN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2/c1-8(2,3)10-6-5-9(4)7-10/h5-7H2,1-4H3
InChIKeyFXQIADWSVFRKNQ-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
CID 167170043
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
CID 159248645
1,4-dimethylpiperazine;ethane
CID 91292414
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
CID 156874902
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535
tert-butyl 3-tert-butylimidazolidine-1-carboxylate
CID 147368889

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylimidazolidine?
The IUPAC name of 1-tert-butyl-3-methylimidazolidine (CID 89297174) is 1-tert-butyl-3-methylimidazolidine.
What is the SMILES notation for 1-tert-butyl-3-methylimidazolidine?
The canonical SMILES for 1-tert-butyl-3-methylimidazolidine is CN1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylimidazolidine?
The InChIKey is FXQIADWSVFRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2,3)10-6-5-9(4)7-10/h5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylimidazolidine?
1-tert-butyl-3-methylimidazolidine has a molecular weight of 142.25 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylimidazolidine is sourced from PubChem (CID 89297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).