1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine

C11H26N4 — CID 104888851

IUPAC1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
SMILESCCCC/N=C(\NN)NCCC(C)(C)C
InChIInChI=1S/C11H26N4/c1-5-6-8-13-10(15-12)14-9-7-11(2,3)4/h5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyHYLDNRSJQFXDGP-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.63
Rot. Bonds5

About 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine

1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine (PubChem CID 104888851) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
PubChem CID104888851
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
SMILESCCCC/N=C(\NN)NCCC(C)(C)C
InChIInChI=1S/C11H26N4/c1-5-6-8-13-10(15-12)14-9-7-11(2,3)4/h5-9,12H2,1-4H3,(H2,13,14,15)
InChIKeyHYLDNRSJQFXDGP-UHFFFAOYSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-amino-2-butyl-3-(3-phenylbutyl)guanidine
CID 116515165
2-(4,4-dimethylpentyl)-1,3-diethylguanidine
CID 111444529
1-butyl-2-(5,5-dimethylhexyl)guanidine
CID 111101409
1-amino-2-butyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 106262764

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine (CID 104888851) is 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine is CCCC/N=C(\NN)NCCC(C)(C)C.
What is the InChIKey of 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine?
The InChIKey is HYLDNRSJQFXDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-6-8-13-10(15-12)14-9-7-11(2,3)4/h5-9,12H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine?
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine has a molecular weight of 214.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine is sourced from PubChem (CID 104888851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).