4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine

C11H17ClN2 — CID 139211017

IUPAC4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine
SMILESCC(CCc1ccnc(Cl)c1)N(C)C
InChIInChI=1S/C11H17ClN2/c1-9(14(2)3)4-5-10-6-7-13-11(12)8-10/h6-9H,4-5H2,1-3H3
InChIKeyUJXWRLNJJBAKEY-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.62
Rot. Bonds4

About 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine

4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine (PubChem CID 139211017) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine
PubChem CID139211017
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine
SMILESCC(CCc1ccnc(Cl)c1)N(C)C
InChIInChI=1S/C11H17ClN2/c1-9(14(2)3)4-5-10-6-7-13-11(12)8-10/h6-9H,4-5H2,1-3H3
InChIKeyUJXWRLNJJBAKEY-UHFFFAOYSA-N
XLogP2.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine (CID 139211017) is 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine is CC(CCc1ccnc(Cl)c1)N(C)C.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine?
The InChIKey is UJXWRLNJJBAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(14(2)3)4-5-10-6-7-13-11(12)8-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine?
4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine has a molecular weight of 212.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 139211017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).