1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine

C15H34N4 — CID 111000953

IUPAC1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
SMILESCCN(CC)CCCCN/C(=N\C)NC(C)C(C)C
InChIInChI=1S/C15H34N4/c1-7-19(8-2)12-10-9-11-17-15(16-6)18-14(5)13(3)4/h13-14H,7-12H2,1-6H3,(H2,16,17,18)
InChIKeyFNGORSTYNOKYPN-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.32
Rot. Bonds9

About 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine

1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine (PubChem CID 111000953) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
PubChem CID111000953
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
SMILESCCN(CC)CCCCN/C(=N\C)NC(C)C(C)C
InChIInChI=1S/C15H34N4/c1-7-19(8-2)12-10-9-11-17-15(16-6)18-14(5)13(3)4/h13-14H,7-12H2,1-6H3,(H2,16,17,18)
InChIKeyFNGORSTYNOKYPN-UHFFFAOYSA-N
XLogP2.32
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.32
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-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[4-(diethylamino)butyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178109
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[4-(diethylamino)butyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111890669
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172
1-[5-(diethylamino)pentan-2-yl]-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 110998382
1-[4-(diethylamino)butyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627203
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111509822
1-[2-(tert-butylamino)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759751

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine?
The IUPAC name of 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine (CID 111000953) is 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine.
What is the SMILES notation for 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine?
The canonical SMILES for 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine is CCN(CC)CCCCN/C(=N\C)NC(C)C(C)C.
What is the InChIKey of 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine?
The InChIKey is FNGORSTYNOKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-7-19(8-2)12-10-9-11-17-15(16-6)18-14(5)13(3)4/h13-14H,7-12H2,1-6H3,(H2,16,17,18).
What are the key properties of 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine?
1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine has a molecular weight of 270.46 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)butyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine is sourced from PubChem (CID 111000953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).