1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine

C14H30N4 — CID 111779651

IUPAC1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
SMILESCCCCN(C)CCN/C(=N\C)NC1CCCC1
InChIInChI=1S/C14H30N4/c1-4-5-11-18(3)12-10-16-14(15-2)17-13-8-6-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeySIUNYPPHDKMKQB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.83
Rot. Bonds7

About 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine

1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine (PubChem CID 111779651) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
PubChem CID111779651
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
SMILESCCCCN(C)CCN/C(=N\C)NC1CCCC1
InChIInChI=1S/C14H30N4/c1-4-5-11-18(3)12-10-16-14(15-2)17-13-8-6-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16,17)
InChIKeySIUNYPPHDKMKQB-UHFFFAOYSA-N
XLogP1.83
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.83
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-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111783409
1-cyclopentyl-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 110991153
1-butyl-3-[2-[butyl(methyl)amino]ethyl]-2-methylguanidine
CID 111781324
1-cyclopentyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111833888
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
CID 111493156
1-[2-[benzyl(methyl)amino]ethyl]-3-cyclohexyl-2-methylguanidine
CID 110956986
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-cyclohexyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 110959303
2-[2-[butyl(methyl)amino]ethyl]-1-cyclopropyl-3-ethylguanidine
CID 111549121
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256923

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine?
The IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine (CID 111779651) is 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine?
The canonical SMILES for 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine is CCCCN(C)CCN/C(=N\C)NC1CCCC1.
What is the InChIKey of 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine?
The InChIKey is SIUNYPPHDKMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-5-11-18(3)12-10-16-14(15-2)17-13-8-6-7-9-13/h13H,4-12H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine?
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine is sourced from PubChem (CID 111779651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).