N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine

C12H21N3 — CID 102877835

IUPACN,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1cncc(C)c1
InChIInChI=1S/C12H21N3/c1-11-7-12(9-14-8-11)10-15(3)6-4-5-13-2/h7-9,13H,4-6,10H2,1-3H3
InChIKeyHUFSKKNQSJPCJA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.43
Rot. Bonds6

About N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine

N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 102877835) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
PubChem CID102877835
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
SMILESCNCCCN(C)Cc1cncc(C)c1
InChIInChI=1S/C12H21N3/c1-11-7-12(9-14-8-11)10-15(3)6-4-5-13-2/h7-9,13H,4-6,10H2,1-3H3
InChIKeyHUFSKKNQSJPCJA-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202067
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197901
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
5-[(5-fluoro-3-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107272128
4-[[methyl-[(5-methyl-3-pyridinyl)methyl]amino]methyl]benzoic acid
CID 102877423
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
CID 102881366
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine (CID 102877835) is N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine is CNCCCN(C)Cc1cncc(C)c1.
What is the InChIKey of N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is HUFSKKNQSJPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-7-12(9-14-8-11)10-15(3)6-4-5-13-2/h7-9,13H,4-6,10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine?
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 102877835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).