1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine

C11H25N3 — CID 122697562

IUPAC1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)N[C@H](C)C(C)C
InChIInChI=1S/C11H25N3/c1-8(2)6-7-13-11(12)14-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H3,12,13,14)/t10-/m1/s1
InChIKeyGRGHHEAMXNCEQV-SNVBAGLBSA-N
MW199.34 g/mol
LogP1.98
Rot. Bonds5

About 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine

1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine (PubChem CID 122697562) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine
PubChem CID122697562
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)N[C@H](C)C(C)C
InChIInChI=1S/C11H25N3/c1-8(2)6-7-13-11(12)14-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H3,12,13,14)/t10-/m1/s1
InChIKeyGRGHHEAMXNCEQV-SNVBAGLBSA-N
XLogP1.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.98
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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Related Compounds

1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978
ethane;1-methoxy-2-(4-methylpentyl)guanidine
CID 142431870
3-[[N'-(3-methylbutyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043459
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
CID 106162010
N-[3-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]propyl]-2-methylpropanamide
CID 109467765
1-butan-2-yl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110920371
2-(2-tert-butylsulfonylethyl)-1-(6-methylheptan-2-yl)guanidine
CID 111812150
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
CID 111025048
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine (CID 122697562) is 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine is CC(C)CC/N=C(\N)N[C@H](C)C(C)C.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine?
The InChIKey is GRGHHEAMXNCEQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25N3/c1-8(2)6-7-13-11(12)14-10(5)9(3)4/h8-10H,6-7H2,1-5H3,(H3,12,13,14)/t10-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine?
1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine has a molecular weight of 199.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 122697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).