(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine

C5H9ClN2 — CID 54765530

IUPAC(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C\N(C)C
InChIInChI=1S/C5H9ClN2/c1-8(2)4-5(6)3-7/h3-4,7H,1-2H3/b5-4+,7-3+
InChIKeyFPRUDUBCOSRBEK-JLVHPEPXSA-N
MW132.59 g/mol
LogP1.28
Rot. Bonds2

About (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine

(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine (PubChem CID 54765530) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine
PubChem CID54765530
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C\N(C)C
InChIInChI=1S/C5H9ClN2/c1-8(2)4-5(6)3-7/h3-4,7H,1-2H3/b5-4+,7-3+
InChIKeyFPRUDUBCOSRBEK-JLVHPEPXSA-N
XLogP1.28
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine (CID 54765530) is (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine is [H]/N=C/C(Cl)=C\N(C)C.
What is the InChIKey of (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine?
The InChIKey is FPRUDUBCOSRBEK-JLVHPEPXSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-8(2)4-5(6)3-7/h3-4,7H,1-2H3/b5-4+,7-3+.
What are the key properties of (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine?
(E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine has a molecular weight of 132.59 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-3-imino-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 54765530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).