5-methyl-N-pent-3-ynylpyridin-2-amine

C11H14N2 — CID 116644488

IUPAC5-methyl-N-pent-3-ynylpyridin-2-amine
SMILESCC#CCCNc1ccc(C)cn1
InChIInChI=1S/C11H14N2/c1-3-4-5-8-12-11-7-6-10(2)9-13-11/h6-7,9H,5,8H2,1-2H3,(H,12,13)
InChIKeyJJJGXZTXINHPEZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.22
Rot. Bonds3

About 5-methyl-N-pent-3-ynylpyridin-2-amine

5-methyl-N-pent-3-ynylpyridin-2-amine (PubChem CID 116644488) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-methyl-N-pent-3-ynylpyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-pent-3-ynylpyridin-2-amine
PubChem CID116644488
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-methyl-N-pent-3-ynylpyridin-2-amine
SMILESCC#CCCNc1ccc(C)cn1
InChIInChI=1S/C11H14N2/c1-3-4-5-8-12-11-7-6-10(2)9-13-11/h6-7,9H,5,8H2,1-2H3,(H,12,13)
InChIKeyJJJGXZTXINHPEZ-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
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-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
CID 103703360
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
CID 63767403
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-3-ynylpyridin-2-amine?
The IUPAC name of 5-methyl-N-pent-3-ynylpyridin-2-amine (CID 116644488) is 5-methyl-N-pent-3-ynylpyridin-2-amine.
What is the SMILES notation for 5-methyl-N-pent-3-ynylpyridin-2-amine?
The canonical SMILES for 5-methyl-N-pent-3-ynylpyridin-2-amine is CC#CCCNc1ccc(C)cn1.
What is the InChIKey of 5-methyl-N-pent-3-ynylpyridin-2-amine?
The InChIKey is JJJGXZTXINHPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-4-5-8-12-11-7-6-10(2)9-13-11/h6-7,9H,5,8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-pent-3-ynylpyridin-2-amine?
5-methyl-N-pent-3-ynylpyridin-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-3-ynylpyridin-2-amine is sourced from PubChem (CID 116644488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).