1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine

C10H13ClN2 — CID 105163768

IUPAC1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2/c1-7(2)10(12-3)8-4-5-13-6-9(8)11/h4-6,10,12H,1H2,2-3H3
InChIKeyYWXDALHVJIQAHV-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.57
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine

1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105163768) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105163768
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccncc1Cl
InChIInChI=1S/C10H13ClN2/c1-7(2)10(12-3)8-4-5-13-6-9(8)11/h4-6,10,12H,1H2,2-3H3
InChIKeyYWXDALHVJIQAHV-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine 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

1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
CID 105110481
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110237
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine (CID 105163768) is 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is YWXDALHVJIQAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7(2)10(12-3)8-4-5-13-6-9(8)11/h4-6,10,12H,1H2,2-3H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine?
1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105163768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).