2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine

C11H17ClN2 — CID 115486493

IUPAC2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
SMILESCC(C)CC(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-13-11(12)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,14)
InChIKeyDYOQKGWKJGLLNI-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine

2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine (PubChem CID 115486493) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
PubChem CID115486493
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
SMILESCC(C)CC(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-13-11(12)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,14)
InChIKeyDYOQKGWKJGLLNI-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
N-(4-methylpentan-2-yl)quinoxalin-6-amine
CID 54863402
2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
CID 103721807
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 103912505
3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine (CID 115486493) is 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine is CC(C)CC(C)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine?
The InChIKey is DYOQKGWKJGLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-13-11(12)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine?
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine is sourced from PubChem (CID 115486493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).