2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine

C12H23N3 — CID 122125683

IUPAC2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C12H23N3/c1-8(2)15-12(13)14-7-10-6-11(10)9-4-3-5-9/h8-11H,3-7H2,1-2H3,(H3,13,14,15)/t10-,11-/m0/s1
InChIKeyLJCTXMWDBQLMAN-QWRGUYRKSA-N
MW209.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine

2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine (PubChem CID 122125683) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
PubChem CID122125683
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C12H23N3/c1-8(2)15-12(13)14-7-10-6-11(10)9-4-3-5-9/h8-11H,3-7H2,1-2H3,(H3,13,14,15)/t10-,11-/m0/s1
InChIKeyLJCTXMWDBQLMAN-QWRGUYRKSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine (CID 122125683) is 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/C[C@@H]1C[C@H]1C1CCC1.
What is the InChIKey of 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine?
The InChIKey is LJCTXMWDBQLMAN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)15-12(13)14-7-10-6-11(10)9-4-3-5-9/h8-11H,3-7H2,1-2H3,(H3,13,14,15)/t10-,11-/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine?
2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine has a molecular weight of 209.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 122125683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).