1-amino-3-butyl-2-(7-methyloctyl)guanidine

C14H32N4 — CID 114004522

IUPAC1-amino-3-butyl-2-(7-methyloctyl)guanidine
SMILESCCCCN/C(=N\CCCCCCC(C)C)NN
InChIInChI=1S/C14H32N4/c1-4-5-11-16-14(18-15)17-12-9-7-6-8-10-13(2)3/h13H,4-12,15H2,1-3H3,(H2,16,17,18)
InChIKeyWLYVDGIYPYZXTH-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.80
Rot. Bonds10

About 1-amino-3-butyl-2-(7-methyloctyl)guanidine

1-amino-3-butyl-2-(7-methyloctyl)guanidine (PubChem CID 114004522) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-amino-3-butyl-2-(7-methyloctyl)guanidine.

Molecular Properties

Compound Name1-amino-3-butyl-2-(7-methyloctyl)guanidine
PubChem CID114004522
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-amino-3-butyl-2-(7-methyloctyl)guanidine
SMILESCCCCN/C(=N\CCCCCCC(C)C)NN
InChIInChI=1S/C14H32N4/c1-4-5-11-16-14(18-15)17-12-9-7-6-8-10-13(2)3/h13H,4-12,15H2,1-3H3,(H2,16,17,18)
InChIKeyWLYVDGIYPYZXTH-UHFFFAOYSA-N
XLogP2.80
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.80
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-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389
1,2,3-trihexylguanidine
CID 173050322
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-2-butyl-3-(3-phenylbutyl)guanidine
CID 116515165
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butyl-2-(7-methyloctyl)guanidine?
The IUPAC name of 1-amino-3-butyl-2-(7-methyloctyl)guanidine (CID 114004522) is 1-amino-3-butyl-2-(7-methyloctyl)guanidine.
What is the SMILES notation for 1-amino-3-butyl-2-(7-methyloctyl)guanidine?
The canonical SMILES for 1-amino-3-butyl-2-(7-methyloctyl)guanidine is CCCCN/C(=N\CCCCCCC(C)C)NN.
What is the InChIKey of 1-amino-3-butyl-2-(7-methyloctyl)guanidine?
The InChIKey is WLYVDGIYPYZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-4-5-11-16-14(18-15)17-12-9-7-6-8-10-13(2)3/h13H,4-12,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-butyl-2-(7-methyloctyl)guanidine?
1-amino-3-butyl-2-(7-methyloctyl)guanidine has a molecular weight of 256.44 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butyl-2-(7-methyloctyl)guanidine is sourced from PubChem (CID 114004522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).