[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium

C10H24N4+2 — CID 25203666

IUPAC[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium
SMILESCC(C)=CC/[NH+]=C(\N)NCCCC[NH3+]
InChIInChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)/p+2
InChIKeyVACJHYSOFQSYAC-UHFFFAOYSA-P
MW200.33 g/mol
LogP-2.04
Rot. Bonds6

About [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium

[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium (PubChem CID 25203666) has the molecular formula C10H24N4+2 and a molecular weight of 200.33 g/mol. Its IUPAC name is [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium.

Molecular Properties

Compound Name[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium
PubChem CID25203666
Molecular FormulaC10H24N4+2
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium
SMILESCC(C)=CC/[NH+]=C(\N)NCCCC[NH3+]
InChIInChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)/p+2
InChIKeyVACJHYSOFQSYAC-UHFFFAOYSA-P
XLogP-2.04
TPSA79.66 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(6-Aminohexyl)-3-(3-methylbut-2-enyl)guanidine
CID 9949085
1-(5-Aminopentyl)-3-(3-methylbut-2-enyl)guanidine
CID 9990774
1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
N,N'''-butane-1,4-diylbis[3-(3-methylbut-2-en-1-yl)guanidine]
CID 45266946
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
N-(4-Aminobutyl)-N-(3-methyl-2-buten-1-yl)guanidine
CID 117689
2-[4-(3-Methylbut-2-enylamino)butyl]guanidine
CID 12442927
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139

Frequently Asked Questions

What is the IUPAC name of [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium?
The IUPAC name of [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium (CID 25203666) is [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium.
What is the SMILES notation for [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium?
The canonical SMILES for [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium is CC(C)=CC/[NH+]=C(\N)NCCCC[NH3+].
What is the InChIKey of [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium?
The InChIKey is VACJHYSOFQSYAC-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)/p+2.
What are the key properties of [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium?
[amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium has a molecular weight of 200.33 g/mol, XLogP of -2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-azaniumylbutylamino)methylidene]-(3-methylbut-2-enyl)azanium is sourced from PubChem (CID 25203666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).