5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine

C11H17ClN2 — CID 81238502

IUPAC5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
SMILESCCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C11H17ClN2/c1-4-5-14(3)11-6-9(2)13-8-10(11)7-12/h6,8H,4-5,7H2,1-3H3
InChIKeyWTTOEPKZWDKIFL-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.98
Rot. Bonds4

About 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine

5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine (PubChem CID 81238502) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
PubChem CID81238502
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
SMILESCCCN(C)c1cc(C)ncc1CCl
InChIInChI=1S/C11H17ClN2/c1-4-5-14(3)11-6-9(2)13-8-10(11)7-12/h6,8H,4-5,7H2,1-3H3
InChIKeyWTTOEPKZWDKIFL-UHFFFAOYSA-N
XLogP2.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.98
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-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
CID 81234440
5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
CID 112663613
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
CID 81234824
N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249829
5-(chloromethyl)-N-(4-ethylphenyl)-N,2-dimethylpyridin-4-amine
CID 81234979
5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
CID 81234834
5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81233598
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81235646
5-(chloromethyl)-4-ethyl-2-methylpyridine
CID 168797453
[4-(dipropylamino)-6-methyl-3-pyridinyl]methanol
CID 81237111
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine (CID 81238502) is 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine is CCCN(C)c1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine?
The InChIKey is WTTOEPKZWDKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-5-14(3)11-6-9(2)13-8-10(11)7-12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine?
5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine has a molecular weight of 212.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine is sourced from PubChem (CID 81238502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).