3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine

C12H19ClN2 — CID 61255367

IUPAC3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCC(C)C(C)N(C)c1ncccc1CCl
InChIInChI=1S/C12H19ClN2/c1-9(2)10(3)15(4)12-11(8-13)6-5-7-14-12/h5-7,9-10H,8H2,1-4H3
InChIKeyPGYGEIAXHUJUGU-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.30
Rot. Bonds4

About 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine

3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine (PubChem CID 61255367) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
PubChem CID61255367
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
SMILESCC(C)C(C)N(C)c1ncccc1CCl
InChIInChI=1S/C12H19ClN2/c1-9(2)10(3)15(4)12-11(8-13)6-5-7-14-12/h5-7,9-10H,8H2,1-4H3
InChIKeyPGYGEIAXHUJUGU-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.30
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

3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61413458
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
3-(chloromethyl)-2-fluoropyridine
CID 22641304
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 61255781
3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447035
N-methyl-3-(methylaminomethyl)-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 62287960
3-(chloromethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 61255764
N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62985079
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
2,3-bis(chloromethyl)pyridine
CID 14518750
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448463

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine (CID 61255367) is 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine is CC(C)C(C)N(C)c1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is PGYGEIAXHUJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-9(2)10(3)15(4)12-11(8-13)6-5-7-14-12/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine?
3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 61255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).