N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine

C12H21N3 — CID 107206914

IUPACN'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1ccc(N(C)CCCCCN)nc1
InChIInChI=1S/C12H21N3/c1-11-6-7-12(14-10-11)15(2)9-5-3-4-8-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyGXNBWIGVANYUFV-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.96
Rot. Bonds6

About N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine

N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine (PubChem CID 107206914) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
PubChem CID107206914
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1ccc(N(C)CCCCCN)nc1
InChIInChI=1S/C12H21N3/c1-11-6-7-12(14-10-11)15(2)9-5-3-4-8-13/h6-7,10H,3-5,8-9,13H2,1-2H3
InChIKeyGXNBWIGVANYUFV-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 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 ≤ 51.96
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'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
N,5-dimethyl-N-propylpyridin-2-amine
CID 126990111
N-(2-chloroethyl)-N,5-dimethylpyridin-2-amine
CID 63392372
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
N'-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62587286
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
6-[butyl(methyl)amino]pyridine-3-carbothioamide
CID 24696338
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine (CID 107206914) is N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine is Cc1ccc(N(C)CCCCCN)nc1.
What is the InChIKey of N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is GXNBWIGVANYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-6-7-12(14-10-11)15(2)9-5-3-4-8-13/h6-7,10H,3-5,8-9,13H2,1-2H3.
What are the key properties of N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine?
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).