2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine

C12H25N3O — CID 99855461

IUPAC2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
SMILESCC(C)O[C@@H]1C[C@@H](/N=C(\N)N(C)C)C1(C)C
InChIInChI=1S/C12H25N3O/c1-8(2)16-10-7-9(12(10,3)4)14-11(13)15(5)6/h8-10H,7H2,1-6H3,(H2,13,14)/t9-,10-/m1/s1
InChIKeyLDXRDZQXWGLURS-NXEZZACHSA-N
MW227.35 g/mol
LogP1.45
Rot. Bonds3

About 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine

2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine (PubChem CID 99855461) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
PubChem CID99855461
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
SMILESCC(C)O[C@@H]1C[C@@H](/N=C(\N)N(C)C)C1(C)C
InChIInChI=1S/C12H25N3O/c1-8(2)16-10-7-9(12(10,3)4)14-11(13)15(5)6/h8-10H,7H2,1-6H3,(H2,13,14)/t9-,10-/m1/s1
InChIKeyLDXRDZQXWGLURS-NXEZZACHSA-N
XLogP1.45
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine
CID 122099406
2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
CID 122081780
2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1,1-diethylguanidine
CID 122099422
2-(3-butoxy-2,2-dimethylcyclobutyl)-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031482
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
CID 122098510
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide
CID 103742051
2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
CID 114630033
trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 125424211
2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 131476387
2-(4-aminocyclohexyl)-1,1-dimethylguanidine
CID 58655487
N'-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]azetidine-1-carboximidamide
CID 122096140

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine (CID 99855461) is 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine is CC(C)O[C@@H]1C[C@@H](/N=C(\N)N(C)C)C1(C)C.
What is the InChIKey of 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine?
The InChIKey is LDXRDZQXWGLURS-NXEZZACHSA-N. The full InChI is InChI=1S/C12H25N3O/c1-8(2)16-10-7-9(12(10,3)4)14-11(13)15(5)6/h8-10H,7H2,1-6H3,(H2,13,14)/t9-,10-/m1/s1.
What are the key properties of 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine?
2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine has a molecular weight of 227.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine is sourced from PubChem (CID 99855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).