[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium

C10H25N3+2 — CID 57350043

IUPAC[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium
SMILESCN(C)C=C(C[NH+](C)C)C[NH+](C)C
InChIInChI=1S/C10H23N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7H,8-9H2,1-6H3/p+2
InChIKeyQXHXMALPRIXDEU-UHFFFAOYSA-P
MW187.33 g/mol
LogP-2.28
Rot. Bonds5

About [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium

[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium (PubChem CID 57350043) has the molecular formula C10H25N3+2 and a molecular weight of 187.33 g/mol. Its IUPAC name is [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium
PubChem CID57350043
Molecular FormulaC10H25N3+2
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium
SMILESCN(C)C=C(C[NH+](C)C)C[NH+](C)C
InChIInChI=1S/C10H23N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7H,8-9H2,1-6H3/p+2
InChIKeyQXHXMALPRIXDEU-UHFFFAOYSA-P
XLogP-2.28
TPSA12.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium?
The IUPAC name of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium (CID 57350043) is [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium is CN(C)C=C(C[NH+](C)C)C[NH+](C)C.
What is the InChIKey of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium?
The InChIKey is QXHXMALPRIXDEU-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H23N3/c1-11(2)7-10(8-12(3)4)9-13(5)6/h7H,8-9H2,1-6H3/p+2.
What are the key properties of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium?
[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium has a molecular weight of 187.33 g/mol, XLogP of -2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium is sourced from PubChem (CID 57350043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).