5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine

C10H15ClN2 — CID 102545284

IUPAC5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(C)c(CCl)cn1
InChIInChI=1S/C10H15ClN2/c1-3-4-12-10-5-8(2)9(6-11)7-13-10/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyCUDKQXJPEVGJGH-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.95
Rot. Bonds4

About 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine

5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine (PubChem CID 102545284) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
PubChem CID102545284
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine
SMILESCCCNc1cc(C)c(CCl)cn1
InChIInChI=1S/C10H15ClN2/c1-3-4-12-10-5-8(2)9(6-11)7-13-10/h5,7H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyCUDKQXJPEVGJGH-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545289
5-[(1S)-1-aminopropyl]-4-methyl-N-propylpyridin-2-amine
CID 124501813
5-(1-aminopropyl)-4-methyl-N-propylpyridin-2-amine
CID 102545297
5-(1-aminoethyl)-4-methyl-N-propylpyridin-2-amine
CID 102545296
5-[(1S)-1-aminoethyl]-4-methyl-N-propylpyridin-2-amine
CID 124501811
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
2-bromo-5-(chloromethyl)-4-methylpyridine
CID 102545117
(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 124501809
[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 102545295
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine (CID 102545284) is 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine is CCCNc1cc(C)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine?
The InChIKey is CUDKQXJPEVGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-3-4-12-10-5-8(2)9(6-11)7-13-10/h5,7H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine?
5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine has a molecular weight of 198.70 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 102545284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).