1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine

C14H30N4 — CID 110927047

IUPAC1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C)N/C(N)=N/CC(C(C)C)N1CCCC1
InChIInChI=1S/C14H30N4/c1-5-12(4)17-14(15)16-10-13(11(2)3)18-8-6-7-9-18/h11-13H,5-10H2,1-4H3,(H3,15,16,17)
InChIKeyGZZGTAKPOWJYBQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds6

About 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine

1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 110927047) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
PubChem CID110927047
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C)N/C(N)=N/CC(C(C)C)N1CCCC1
InChIInChI=1S/C14H30N4/c1-5-12(4)17-14(15)16-10-13(11(2)3)18-8-6-7-9-18/h11-13H,5-10H2,1-4H3,(H3,15,16,17)
InChIKeyGZZGTAKPOWJYBQ-UHFFFAOYSA-N
XLogP1.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355
1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523
1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111042194
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
1-(3,4-dimethylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042515
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
CID 111117681
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110912531
1-ethyl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343670

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine (CID 110927047) is 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine is CCC(C)N/C(N)=N/CC(C(C)C)N1CCCC1.
What is the InChIKey of 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is GZZGTAKPOWJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-5-12(4)17-14(15)16-10-13(11(2)3)18-8-6-7-9-18/h11-13H,5-10H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine?
1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 254.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110927047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).