1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C13H23ClN4 — CID 79052761

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C13H23ClN4/c1-5-18(6-2)13(3,4)11(15)10-7-9(14)8-17-12(10)16/h7-8,11H,5-6,15H2,1-4H3,(H2,16,17)
InChIKeyRWQXBUIBNQGTGM-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 79052761) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID79052761
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc(Cl)cnc1N
InChIInChI=1S/C13H23ClN4/c1-5-18(6-2)13(3,4)11(15)10-7-9(14)8-17-12(10)16/h7-8,11H,5-6,15H2,1-4H3,(H2,16,17)
InChIKeyRWQXBUIBNQGTGM-UHFFFAOYSA-N
XLogP2.44
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 79052761) is 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is RWQXBUIBNQGTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-5-18(6-2)13(3,4)11(15)10-7-9(14)8-17-12(10)16/h7-8,11H,5-6,15H2,1-4H3,(H2,16,17).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 270.81 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 79052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).