1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine

C15H29N3O — CID 122099406

IUPAC1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine
SMILESCN(/C(N)=N/[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1
InChIInChI=1S/C15H29N3O/c1-14(2,3)19-12-9-11(15(12,4)5)17-13(16)18(6)10-7-8-10/h10-12H,7-9H2,1-6H3,(H2,16,17)/t11-,12+/m1/s1
InChIKeyDGCQDUDOWZCJAG-NEPJUHHUSA-N
MW267.42 g/mol
LogP2.38
Rot. Bonds3

About 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine

1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine (PubChem CID 122099406) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine
PubChem CID122099406
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine
SMILESCN(/C(N)=N/[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1
InChIInChI=1S/C15H29N3O/c1-14(2,3)19-12-9-11(15(12,4)5)17-13(16)18(6)10-7-8-10/h10-12H,7-9H2,1-6H3,(H2,16,17)/t11-,12+/m1/s1
InChIKeyDGCQDUDOWZCJAG-NEPJUHHUSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.38
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

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
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
CID 122098510
tert-butyl 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]cyclohexane-1-carboxylate
CID 110031868
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
CID 122081780
1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679694
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
2-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
CID 120671550

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine (CID 122099406) is 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine is CN(/C(N)=N/[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine?
The InChIKey is DGCQDUDOWZCJAG-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2,3)19-12-9-11(15(12,4)5)17-13(16)18(6)10-7-8-10/h10-12H,7-9H2,1-6H3,(H2,16,17)/t11-,12+/m1/s1.
What are the key properties of 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine?
1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine has a molecular weight of 267.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methylguanidine is sourced from PubChem (CID 122099406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).