1-amino-3-hexyl-2-propylguanidine

C10H24N4 — CID 104886641

IUPAC1-amino-3-hexyl-2-propylguanidine
SMILESCCCCCCN/C(=N/CCC)NN
InChIInChI=1S/C10H24N4/c1-3-5-6-7-9-13-10(14-11)12-8-4-2/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyMSRFBUGWVUGGHS-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.39
Rot. Bonds7

About 1-amino-3-hexyl-2-propylguanidine

1-amino-3-hexyl-2-propylguanidine (PubChem CID 104886641) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-amino-3-hexyl-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-hexyl-2-propylguanidine
PubChem CID104886641
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-amino-3-hexyl-2-propylguanidine
SMILESCCCCCCN/C(=N/CCC)NN
InChIInChI=1S/C10H24N4/c1-3-5-6-7-9-13-10(14-11)12-8-4-2/h3-9,11H2,1-2H3,(H2,12,13,14)
InChIKeyMSRFBUGWVUGGHS-UHFFFAOYSA-N
XLogP1.39
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.39
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
1,2,3-trihexylguanidine
CID 173050322
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
N-amino-N'-propyldecanimidamide
CID 65427177
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-hexyl-2-propylguanidine?
The IUPAC name of 1-amino-3-hexyl-2-propylguanidine (CID 104886641) is 1-amino-3-hexyl-2-propylguanidine.
What is the SMILES notation for 1-amino-3-hexyl-2-propylguanidine?
The canonical SMILES for 1-amino-3-hexyl-2-propylguanidine is CCCCCCN/C(=N/CCC)NN.
What is the InChIKey of 1-amino-3-hexyl-2-propylguanidine?
The InChIKey is MSRFBUGWVUGGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-3-5-6-7-9-13-10(14-11)12-8-4-2/h3-9,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-3-hexyl-2-propylguanidine?
1-amino-3-hexyl-2-propylguanidine has a molecular weight of 200.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-hexyl-2-propylguanidine is sourced from PubChem (CID 104886641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).