(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium

C7H14ClN2+ — CID 173413472

IUPAC(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium
SMILESCC(N)=C(Cl)C(C)=[N+](C)C
InChIInChI=1S/C7H13ClN2/c1-5(9)7(8)6(2)10(3)4/h9H,1-4H3/p+1
InChIKeyQKKKFZDYKZALAK-UHFFFAOYSA-O
MW161.66 g/mol
LogP1.15
Rot. Bonds1

About (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium

(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium (PubChem CID 173413472) has the molecular formula C7H14ClN2+ and a molecular weight of 161.66 g/mol. Its IUPAC name is (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium
PubChem CID173413472
Molecular FormulaC7H14ClN2+
Molecular Weight161.66 g/mol
Exact Mass161.08
IUPAC Name(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium
SMILESCC(N)=C(Cl)C(C)=[N+](C)C
InChIInChI=1S/C7H13ClN2/c1-5(9)7(8)6(2)10(3)4/h9H,1-4H3/p+1
InChIKeyQKKKFZDYKZALAK-UHFFFAOYSA-O
XLogP1.15
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium?
The IUPAC name of (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium (CID 173413472) is (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium.
What is the SMILES notation for (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium?
The canonical SMILES for (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium is CC(N)=C(Cl)C(C)=[N+](C)C.
What is the InChIKey of (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium?
The InChIKey is QKKKFZDYKZALAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13ClN2/c1-5(9)7(8)6(2)10(3)4/h9H,1-4H3/p+1.
What are the key properties of (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium?
(4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium has a molecular weight of 161.66 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chloropent-3-en-2-ylidene)-dimethylazanium is sourced from PubChem (CID 173413472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).