4-aminopentyl(diaminomethylidene)azanium

C6H17N4+ — CID 59325928

IUPAC4-aminopentyl(diaminomethylidene)azanium
SMILESCC(N)CCC[NH+]=C(N)N
InChIInChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+1
InChIKeyDYOKHDPMROZFEW-UHFFFAOYSA-O
MW145.23 g/mol
LogP-2.53
Rot. Bonds4

About 4-aminopentyl(diaminomethylidene)azanium

4-aminopentyl(diaminomethylidene)azanium (PubChem CID 59325928) has the molecular formula C6H17N4+ and a molecular weight of 145.23 g/mol. Its IUPAC name is 4-aminopentyl(diaminomethylidene)azanium.

Molecular Properties

Compound Name4-aminopentyl(diaminomethylidene)azanium
PubChem CID59325928
Molecular FormulaC6H17N4+
Molecular Weight145.23 g/mol
Exact Mass145.14
IUPAC Name4-aminopentyl(diaminomethylidene)azanium
SMILESCC(N)CCC[NH+]=C(N)N
InChIInChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+1
InChIKeyDYOKHDPMROZFEW-UHFFFAOYSA-O
XLogP-2.53
TPSA92.03 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminopentyl(diaminomethylidene)azanium?
The IUPAC name of 4-aminopentyl(diaminomethylidene)azanium (CID 59325928) is 4-aminopentyl(diaminomethylidene)azanium.
What is the SMILES notation for 4-aminopentyl(diaminomethylidene)azanium?
The canonical SMILES for 4-aminopentyl(diaminomethylidene)azanium is CC(N)CCC[NH+]=C(N)N.
What is the InChIKey of 4-aminopentyl(diaminomethylidene)azanium?
The InChIKey is DYOKHDPMROZFEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N4/c1-5(7)3-2-4-10-6(8)9/h5H,2-4,7H2,1H3,(H4,8,9,10)/p+1.
What are the key properties of 4-aminopentyl(diaminomethylidene)azanium?
4-aminopentyl(diaminomethylidene)azanium has a molecular weight of 145.23 g/mol, XLogP of -2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentyl(diaminomethylidene)azanium is sourced from PubChem (CID 59325928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).