[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide

C11H22BrN3 — CID 177251619

IUPAC[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
SMILESC=CCC(C=C)NC(N(C)C)=[N+](C)C.[Br-]
InChIInChI=1S/C11H21N3.BrH/c1-7-9-10(8-2)12-11(13(3)4)14(5)6;/h7-8,10H,1-2,9H2,3-6H3;1H
InChIKeyDZFWZNYDMARIFZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP-2.10
Rot. Bonds4

About [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide

[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide (PubChem CID 177251619) has the molecular formula C11H22BrN3 and a molecular weight of 276.22 g/mol. Its IUPAC name is [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide.

Molecular Properties

Compound Name[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
PubChem CID177251619
Molecular FormulaC11H22BrN3
Molecular Weight276.22 g/mol
Exact Mass275.10
IUPAC Name[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
SMILESC=CCC(C=C)NC(N(C)C)=[N+](C)C.[Br-]
InChIInChI=1S/C11H21N3.BrH/c1-7-9-10(8-2)12-11(13(3)4)14(5)6;/h7-8,10H,1-2,9H2,3-6H3;1H
InChIKeyDZFWZNYDMARIFZ-UHFFFAOYSA-N
XLogP-2.10
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide 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

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
2-(4,5-dihydroimidazol-1-yl)-N-prop-2-enylpent-4-en-2-amine
CID 69731763
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
Ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium
CID 123434448
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
2-[Amino-[ethyl(pentan-2-yl)amino]methyl]-1-but-3-en-2-ylguanidine
CID 173547741

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide?
The IUPAC name of [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide (CID 177251619) is [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide.
What is the SMILES notation for [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide?
The canonical SMILES for [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide is C=CCC(C=C)NC(N(C)C)=[N+](C)C.[Br-].
What is the InChIKey of [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide?
The InChIKey is DZFWZNYDMARIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.BrH/c1-7-9-10(8-2)12-11(13(3)4)14(5)6;/h7-8,10H,1-2,9H2,3-6H3;1H.
What are the key properties of [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide?
[dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide has a molecular weight of 276.22 g/mol, XLogP of -2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide is sourced from PubChem (CID 177251619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).