3-propan-2-ylimidazolidin-1-amine

C6H15N3 — CID 58771885

IUPAC3-propan-2-ylimidazolidin-1-amine
SMILESCC(C)N1CCN(N)C1
InChIInChI=1S/C6H15N3/c1-6(2)8-3-4-9(7)5-8/h6H,3-5,7H2,1-2H3
InChIKeyTWIHGGXWOXNCAO-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.16
Rot. Bonds1

About 3-propan-2-ylimidazolidin-1-amine

3-propan-2-ylimidazolidin-1-amine (PubChem CID 58771885) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 3-propan-2-ylimidazolidin-1-amine.

Molecular Properties

Compound Name3-propan-2-ylimidazolidin-1-amine
PubChem CID58771885
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name3-propan-2-ylimidazolidin-1-amine
SMILESCC(C)N1CCN(N)C1
InChIInChI=1S/C6H15N3/c1-6(2)8-3-4-9(7)5-8/h6H,3-5,7H2,1-2H3
InChIKeyTWIHGGXWOXNCAO-UHFFFAOYSA-N
XLogP-0.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethylimidazolidin-1-amine
CID 123893474
3-Methylimidazolidin-1-amine
CID 124191618
3-Propylimidazolidin-1-amine
CID 154004882
(4S)-N,2,4-trimethyl-3-propylimidazolidin-1-amine
CID 155306647

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylimidazolidin-1-amine?
The IUPAC name of 3-propan-2-ylimidazolidin-1-amine (CID 58771885) is 3-propan-2-ylimidazolidin-1-amine.
What is the SMILES notation for 3-propan-2-ylimidazolidin-1-amine?
The canonical SMILES for 3-propan-2-ylimidazolidin-1-amine is CC(C)N1CCN(N)C1.
What is the InChIKey of 3-propan-2-ylimidazolidin-1-amine?
The InChIKey is TWIHGGXWOXNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2)8-3-4-9(7)5-8/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-propan-2-ylimidazolidin-1-amine?
3-propan-2-ylimidazolidin-1-amine has a molecular weight of 129.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylimidazolidin-1-amine is sourced from PubChem (CID 58771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).