5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine

C13H20Cl2N2 — CID 114920964

IUPAC5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
SMILESCC(N(C)c1cc(CCl)c(Cl)cn1)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-9(13(2,3)4)17(5)12-6-10(7-14)11(15)8-16-12/h6,8-9H,7H2,1-5H3
InChIKeyBVWFNPRCJVBHKA-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.34
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine

5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine (PubChem CID 114920964) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
PubChem CID114920964
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
SMILESCC(N(C)c1cc(CCl)c(Cl)cn1)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-9(13(2,3)4)17(5)12-6-10(7-14)11(15)8-16-12/h6,8-9H,7H2,1-5H3
InChIKeyBVWFNPRCJVBHKA-UHFFFAOYSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylquinolin-2-amine
CID 63445993
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-4-(chloromethyl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 114921039
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 83076492
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
6-chloro-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80545306

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine (CID 114920964) is 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine is CC(N(C)c1cc(CCl)c(Cl)cn1)C(C)(C)C.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The InChIKey is BVWFNPRCJVBHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-9(13(2,3)4)17(5)12-6-10(7-14)11(15)8-16-12/h6,8-9H,7H2,1-5H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine has a molecular weight of 275.22 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114920964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).