2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine

C15H27N3 — CID 115374759

IUPAC2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1cncc(C)c1
InChIInChI=1S/C15H27N3/c1-7-18(8-2)15(4,5)14(16-6)13-9-12(3)10-17-11-13/h9-11,14,16H,7-8H2,1-6H3
InChIKeyQOTKKEBNFNCLHW-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds6

About 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine (PubChem CID 115374759) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
PubChem CID115374759
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1cncc(C)c1
InChIInChI=1S/C15H27N3/c1-7-18(8-2)15(4,5)14(16-6)13-9-12(3)10-17-11-13/h9-11,14,16H,7-8H2,1-6H3
InChIKeyQOTKKEBNFNCLHW-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-hydrazinyl-2-methyl-1-(5-methyl-3-pyridinyl)propan-2-amine
CID 105239256
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
CID 115374174
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
CID 79067715
2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
2-(dimethylamino)-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374166
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
2-ethoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374703

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine (CID 115374759) is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1cncc(C)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine?
The InChIKey is QOTKKEBNFNCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-18(8-2)15(4,5)14(16-6)13-9-12(3)10-17-11-13/h9-11,14,16H,7-8H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 115374759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).