methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride

C6H12ClN2+ — CID 173095651

IUPACmethylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride
SMILESC=NC(CCC)=[N+]=C.Cl
InChIInChI=1S/C6H11N2.ClH/c1-4-5-6(7-2)8-3;/h2-5H2,1H3;1H/q+1;
InChIKeyGPYXCMYKIYVUDC-UHFFFAOYSA-N
MW147.63 g/mol
LogP1.08
Rot. Bonds2

About methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride

methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride (PubChem CID 173095651) has the molecular formula C6H12ClN2+ and a molecular weight of 147.63 g/mol. Its IUPAC name is methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride.

Molecular Properties

Compound Namemethylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride
PubChem CID173095651
Molecular FormulaC6H12ClN2+
Molecular Weight147.63 g/mol
Exact Mass147.07
IUPAC Namemethylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride
SMILESC=NC(CCC)=[N+]=C.Cl
InChIInChI=1S/C6H11N2.ClH/c1-4-5-6(7-2)8-3;/h2-5H2,1H3;1H/q+1;
InChIKeyGPYXCMYKIYVUDC-UHFFFAOYSA-N
XLogP1.08
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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butanoic acid;dihydrochloride
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4,5-dimethylideneoctane
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N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899
N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
CID 113336760
2-oxopentanoic acid;dihydrochloride
CID 143025577
sodium;butanoic acid;hydride;hydrochloride
CID 174274884
4,7-dimethylidenedecane
CID 543440
N-methylidenehexacosanamide
CID 89187174
(Z)-2-(methylideneamino)hept-2-en-3-ol
CID 143471984

Frequently Asked Questions

What is the IUPAC name of methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride?
The IUPAC name of methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride (CID 173095651) is methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride.
What is the SMILES notation for methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride?
The canonical SMILES for methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride is C=NC(CCC)=[N+]=C.Cl.
What is the InChIKey of methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride?
The InChIKey is GPYXCMYKIYVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.ClH/c1-4-5-6(7-2)8-3;/h2-5H2,1H3;1H/q+1;.
What are the key properties of methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride?
methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride has a molecular weight of 147.63 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride is sourced from PubChem (CID 173095651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).