1-methyl-4-propan-2-ylimidazolidine

C7H16N2 — CID 139454022

IUPAC1-methyl-4-propan-2-ylimidazolidine
SMILESCC(C)C1CN(C)CN1
InChIInChI=1S/C7H16N2/c1-6(2)7-4-9(3)5-8-7/h6-8H,4-5H2,1-3H3
InChIKeyYYMLZELKBMVCFL-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-4-propan-2-ylimidazolidine

1-methyl-4-propan-2-ylimidazolidine (PubChem CID 139454022) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylimidazolidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylimidazolidine
PubChem CID139454022
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-methyl-4-propan-2-ylimidazolidine
SMILESCC(C)C1CN(C)CN1
InChIInChI=1S/C7H16N2/c1-6(2)7-4-9(3)5-8-7/h6-8H,4-5H2,1-3H3
InChIKeyYYMLZELKBMVCFL-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylimidazolidine?
The IUPAC name of 1-methyl-4-propan-2-ylimidazolidine (CID 139454022) is 1-methyl-4-propan-2-ylimidazolidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylimidazolidine?
The canonical SMILES for 1-methyl-4-propan-2-ylimidazolidine is CC(C)C1CN(C)CN1.
What is the InChIKey of 1-methyl-4-propan-2-ylimidazolidine?
The InChIKey is YYMLZELKBMVCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)7-4-9(3)5-8-7/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylimidazolidine?
1-methyl-4-propan-2-ylimidazolidine has a molecular weight of 128.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylimidazolidine is sourced from PubChem (CID 139454022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).