5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine

C13H20Cl2N2 — CID 107875611

IUPAC5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(CCl)(CCl)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H20Cl2N2/c1-12(2,3)10-5-6-11(16-7-10)17-13(4,8-14)9-15/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyLZDWOAQVUVWQDG-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.03
Rot. Bonds4

About 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine

5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine (PubChem CID 107875611) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
PubChem CID107875611
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(CCl)(CCl)Nc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H20Cl2N2/c1-12(2,3)10-5-6-11(16-7-10)17-13(4,8-14)9-15/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyLZDWOAQVUVWQDG-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-tert-butyl-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 107874655
2-N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-2,3-diamine
CID 114011749
5-tert-butyl-N-(4-chloro-3-methylbutan-2-yl)pyridin-2-amine
CID 107875628
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
CID 107875581
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
N-but-3-enyl-5-tert-butylpyridin-2-amine
CID 107874874
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
CID 107874744
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoropyridin-2-amine
CID 105059589
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine (CID 107875611) is 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine is CC(CCl)(CCl)Nc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The InChIKey is LZDWOAQVUVWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-12(2,3)10-5-6-11(16-7-10)17-13(4,8-14)9-15/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine has a molecular weight of 275.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 107875611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).