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

C12H21N3 — CID 143011658

IUPACN-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCNCCCCCNc1ccc(C)cn1
InChIInChI=1S/C12H21N3/c1-11-6-7-12(15-10-11)14-9-5-3-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyLYAGIBVXOSHBCC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.19
Rot. Bonds7

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 143011658) 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 CID143011658
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCNCCCCCNc1ccc(C)cn1
InChIInChI=1S/C12H21N3/c1-11-6-7-12(15-10-11)14-9-5-3-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyLYAGIBVXOSHBCC-UHFFFAOYSA-N
XLogP2.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
5-methyl-N-pent-3-ynylpyridin-2-amine
CID 116644488
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439

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 143011658) 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 CNCCCCCNc1ccc(C)cn1.
What is the InChIKey of N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is LYAGIBVXOSHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-6-7-12(15-10-11)14-9-5-3-4-8-13-2/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,15).
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 2.19, 7 rotatable bonds, 2 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 143011658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).