2-[5-(3-methylbut-2-enylamino)pentyl]guanidine

C11H24N4 — CID 142908035

IUPAC2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
SMILESCC(C)=CCNCCCCCN=C(N)N
InChIInChI=1S/C11H24N4/c1-10(2)6-9-14-7-4-3-5-8-15-11(12)13/h6,14H,3-5,7-9H2,1-2H3,(H4,12,13,15)
InChIKeyFGWUBYPULLUHEG-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.99
Rot. Bonds8

About 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine

2-[5-(3-methylbut-2-enylamino)pentyl]guanidine (PubChem CID 142908035) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine.

Molecular Properties

Compound Name2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
PubChem CID142908035
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
SMILESCC(C)=CCNCCCCCN=C(N)N
InChIInChI=1S/C11H24N4/c1-10(2)6-9-14-7-4-3-5-8-15-11(12)13/h6,14H,3-5,7-9H2,1-2H3,(H4,12,13,15)
InChIKeyFGWUBYPULLUHEG-UHFFFAOYSA-N
XLogP0.99
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
CID 46845149
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
CID 107901319
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
[8-(diaminomethylideneamino)octylamino]methylphosphonic acid;hydrate
CID 88668506
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
CID 91298685
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine?
The IUPAC name of 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine (CID 142908035) is 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine.
What is the SMILES notation for 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine?
The canonical SMILES for 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine is CC(C)=CCNCCCCCN=C(N)N.
What is the InChIKey of 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine?
The InChIKey is FGWUBYPULLUHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-10(2)6-9-14-7-4-3-5-8-15-11(12)13/h6,14H,3-5,7-9H2,1-2H3,(H4,12,13,15).
What are the key properties of 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine?
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylbut-2-enylamino)pentyl]guanidine is sourced from PubChem (CID 142908035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).