1-chloro-N,N-dimethylprop-2-en-1-amine

C5H10ClN — CID 53400738

IUPAC1-chloro-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(Cl)N(C)C
InChIInChI=1S/C5H10ClN/c1-4-5(6)7(2)3/h4-5H,1H2,2-3H3
InChIKeyFFZYFPNEGKRIML-UHFFFAOYSA-N
MW119.59 g/mol
LogP1.30
Rot. Bonds2

About 1-chloro-N,N-dimethylprop-2-en-1-amine

1-chloro-N,N-dimethylprop-2-en-1-amine (PubChem CID 53400738) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-chloro-N,N-dimethylprop-2-en-1-amine
PubChem CID53400738
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name1-chloro-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(Cl)N(C)C
InChIInChI=1S/C5H10ClN/c1-4-5(6)7(2)3/h4-5H,1H2,2-3H3
InChIKeyFFZYFPNEGKRIML-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 1-chloro-N,N-dimethylprop-2-en-1-amine (CID 53400738) is 1-chloro-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-chloro-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-chloro-N,N-dimethylprop-2-en-1-amine is C=CC(Cl)N(C)C.
What is the InChIKey of 1-chloro-N,N-dimethylprop-2-en-1-amine?
The InChIKey is FFZYFPNEGKRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c1-4-5(6)7(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 1-chloro-N,N-dimethylprop-2-en-1-amine?
1-chloro-N,N-dimethylprop-2-en-1-amine has a molecular weight of 119.59 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 53400738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).