1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine

C13H23N3 — CID 122126105

IUPAC1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C13H23N3/c14-13(15-8-9-3-1-4-9)16-12-7-11(12)10-5-2-6-10/h9-12H,1-8H2,(H3,14,15,16)/t11-,12+/m0/s1
InChIKeyMVVAFTSBLBOYGE-NWDGAFQWSA-N
MW221.35 g/mol
LogP1.88
Rot. Bonds4

About 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine

1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine (PubChem CID 122126105) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
PubChem CID122126105
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine
SMILESN/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CCC1
InChIInChI=1S/C13H23N3/c14-13(15-8-9-3-1-4-9)16-12-7-11(12)10-5-2-6-10/h9-12H,1-8H2,(H3,14,15,16)/t11-,12+/m0/s1
InChIKeyMVVAFTSBLBOYGE-NWDGAFQWSA-N
XLogP1.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.88
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'}

Analyze 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylmethyl)-1-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine;hydroiodide
CID 120666045
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
CID 130614190
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
CID 120514391
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
2-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-1-propan-2-ylguanidine
CID 122125683

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine?
The IUPAC name of 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine (CID 122126105) is 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine.
What is the SMILES notation for 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine?
The canonical SMILES for 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine is N/C(=N\CC1CCC1)N[C@@H]1C[C@H]1C1CCC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine?
The InChIKey is MVVAFTSBLBOYGE-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(15-8-9-3-1-4-9)16-12-7-11(12)10-5-2-6-10/h9-12H,1-8H2,(H3,14,15,16)/t11-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine?
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine has a molecular weight of 221.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(cyclobutylmethyl)guanidine is sourced from PubChem (CID 122126105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).