2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C13H21Cl2N3 — CID 103190605

IUPAC2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(CCl)cc1Cl)C(C)CN(C)C
InChIInChI=1S/C13H21Cl2N3/c1-5-18(10(2)9-17(3)4)13-12(15)6-11(7-14)8-16-13/h6,8,10H,5,7,9H2,1-4H3
InChIKeyOSVGFDAZJZSVAU-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.25
Rot. Bonds6

About 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190605) has the molecular formula C13H21Cl2N3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190605
Molecular FormulaC13H21Cl2N3
Molecular Weight290.24 g/mol
Exact Mass289.11
IUPAC Name2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(CCl)cc1Cl)C(C)CN(C)C
InChIInChI=1S/C13H21Cl2N3/c1-5-18(10(2)9-17(3)4)13-12(15)6-11(7-14)8-16-13/h6,8,10H,5,7,9H2,1-4H3
InChIKeyOSVGFDAZJZSVAU-UHFFFAOYSA-N
XLogP3.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190605) is 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1ncc(CCl)cc1Cl)C(C)CN(C)C.
What is the InChIKey of 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is OSVGFDAZJZSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3/c1-5-18(10(2)9-17(3)4)13-12(15)6-11(7-14)8-16-13/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 290.24 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).