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

C10H14Cl2N2 — CID 114920828

IUPAC5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C10H14Cl2N2/c1-3-4-14(2)10-5-8(6-11)9(12)7-13-10/h5,7H,3-4,6H2,1-2H3
InChIKeyPYENJVLDNJALGQ-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.32
Rot. Bonds4

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

5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine (PubChem CID 114920828) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
PubChem CID114920828
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
SMILESCCCN(C)c1cc(CCl)c(Cl)cn1
InChIInChI=1S/C10H14Cl2N2/c1-3-4-14(2)10-5-8(6-11)9(12)7-13-10/h5,7H,3-4,6H2,1-2H3
InChIKeyPYENJVLDNJALGQ-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.32
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-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 114921039
5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 114920964
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926756
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114926497
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81238502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine (CID 114920828) is 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine is CCCN(C)c1cc(CCl)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine?
The InChIKey is PYENJVLDNJALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-3-4-14(2)10-5-8(6-11)9(12)7-13-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine?
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine has a molecular weight of 233.14 g/mol, XLogP of 3.32, 4 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-methyl-N-propylpyridin-2-amine is sourced from PubChem (CID 114920828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).