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

C11H26N4 — CID 111151966

IUPAC1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCN(C)CC
InChIInChI=1S/C11H26N4/c1-5-7-8-13-11(12-3)14-9-10-15(4)6-2/h5-10H2,1-4H3,(H2,12,13,14)
InChIKeyHCCHSHYDCJAPNP-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.90
Rot. Bonds7

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

1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine (PubChem CID 111151966) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
PubChem CID111151966
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCN(C)CC
InChIInChI=1S/C11H26N4/c1-5-7-8-13-11(12-3)14-9-10-15(4)6-2/h5-10H2,1-4H3,(H2,12,13,14)
InChIKeyHCCHSHYDCJAPNP-UHFFFAOYSA-N
XLogP0.90
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[2-[butyl(methyl)amino]ethyl]-2-methylguanidine
CID 111781324
1-butyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835244
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-butyl-2-methylguanidine
CID 111152364
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652347
2-methyl-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-pentylguanidine;hydroiodide
CID 111834770
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111652298
1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765
1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692306
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-butyl-2-methyl-3-[2-(N-methylanilino)ethyl]guanidine;hydroiodide
CID 111149833
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine (CID 111151966) is 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine is CCCCN/C(=N\C)NCCN(C)CC.
What is the InChIKey of 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine?
The InChIKey is HCCHSHYDCJAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-7-8-13-11(12-3)14-9-10-15(4)6-2/h5-10H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine?
1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine has a molecular weight of 214.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 111151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).