N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C13H22ClN3 — CID 79662113

IUPACN'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ccc(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-4-7-17(10-13(2,3)9-15)12-6-5-11(14)8-16-12/h5-6,8H,4,7,9-10,15H2,1-3H3
InChIKeyKJHYCZYMKICELN-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.94
Rot. Bonds6

About N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79662113) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79662113
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ccc(Cl)cn1
InChIInChI=1S/C13H22ClN3/c1-4-7-17(10-13(2,3)9-15)12-6-5-11(14)8-16-12/h5-6,8H,4,7,9-10,15H2,1-3H3
InChIKeyKJHYCZYMKICELN-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79662113) is N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is KJHYCZYMKICELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-7-17(10-13(2,3)9-15)12-6-5-11(14)8-16-12/h5-6,8H,4,7,9-10,15H2,1-3H3.
What are the key properties of N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 255.79 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).