4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine

C12H19ClN2 — CID 61255562

IUPAC4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CCl)ccn1
InChIInChI=1S/C12H19ClN2/c1-4-10(2)9-15(3)12-7-11(8-13)5-6-14-12/h5-7,10H,4,8-9H2,1-3H3
InChIKeyCEHANFRPNKKQTK-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.30
Rot. Bonds5

About 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine

4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 61255562) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
PubChem CID61255562
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1cc(CCl)ccn1
InChIInChI=1S/C12H19ClN2/c1-4-10(2)9-15(3)12-7-11(8-13)5-6-14-12/h5-7,10H,4,8-9H2,1-3H3
InChIKeyCEHANFRPNKKQTK-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine (CID 61255562) is 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(C)c1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is CEHANFRPNKKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-10(2)9-15(3)12-7-11(8-13)5-6-14-12/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 61255562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).