[amino(hydroxy)methylidene]-pentylideneazanium chloride

C6H13ClN2O — CID 159212624

IUPAC[amino(hydroxy)methylidene]-pentylideneazanium chloride
SMILESCCCCC=[N+]=C(N)O.[Cl-]
InChIInChI=1S/C6H12N2O.ClH/c1-2-3-4-5-8-6(7)9;/h5H,2-4H2,1H3,(H2,7,9);1H
InChIKeyIOVFJKBEWTVKBZ-UHFFFAOYSA-N
MW164.64 g/mol
LogP-2.81
Rot. Bonds3

About [amino(hydroxy)methylidene]-pentylideneazanium chloride

[amino(hydroxy)methylidene]-pentylideneazanium chloride (PubChem CID 159212624) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is [amino(hydroxy)methylidene]-pentylideneazanium chloride.

Molecular Properties

Compound Name[amino(hydroxy)methylidene]-pentylideneazanium chloride
PubChem CID159212624
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name[amino(hydroxy)methylidene]-pentylideneazanium chloride
SMILESCCCCC=[N+]=C(N)O.[Cl-]
InChIInChI=1S/C6H12N2O.ClH/c1-2-3-4-5-8-6(7)9;/h5H,2-4H2,1H3,(H2,7,9);1H
InChIKeyIOVFJKBEWTVKBZ-UHFFFAOYSA-N
XLogP-2.81
TPSA60.35 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [amino(hydroxy)methylidene]-pentylideneazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo(pentylidene)azanium
CID 123316528
(E)-dodecylidene(oxo)azanium
CID 42627314
propyl 2-hydroxyhept-2-enoate
CID 87467247
carbamic acid;methane;(Z)-tetradec-5-ene
CID 174913616
(hexylideneamino) carbamate
CID 175176534
CID 57418783
CID 57418783
hept-2-enamide;dihydrochloride
CID 142841404
acetic acid;(Z)-tetradec-5-ene;[(Z)-tetradec-9-enyl] carbamate
CID 174912776
tricos-1-ene-1,1-diamine
CID 141373485
(E)-oct-2-en-2-amine
CID 87259480
2-methylhept-2-enamide;hydrate
CID 172812574
hex-1-ene;zirconium(4+);dichloride
CID 157382882

Frequently Asked Questions

What is the IUPAC name of [amino(hydroxy)methylidene]-pentylideneazanium chloride?
The IUPAC name of [amino(hydroxy)methylidene]-pentylideneazanium chloride (CID 159212624) is [amino(hydroxy)methylidene]-pentylideneazanium chloride.
What is the SMILES notation for [amino(hydroxy)methylidene]-pentylideneazanium chloride?
The canonical SMILES for [amino(hydroxy)methylidene]-pentylideneazanium chloride is CCCCC=[N+]=C(N)O.[Cl-].
What is the InChIKey of [amino(hydroxy)methylidene]-pentylideneazanium chloride?
The InChIKey is IOVFJKBEWTVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-2-3-4-5-8-6(7)9;/h5H,2-4H2,1H3,(H2,7,9);1H.
What are the key properties of [amino(hydroxy)methylidene]-pentylideneazanium chloride?
[amino(hydroxy)methylidene]-pentylideneazanium chloride has a molecular weight of 164.64 g/mol, XLogP of -2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(hydroxy)methylidene]-pentylideneazanium chloride is sourced from PubChem (CID 159212624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).