1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine

C14H20N2 — CID 105112281

IUPAC1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(C)nc1C
InChIInChI=1S/C14H20N2/c1-5-7-8-14(15-6-2)13-10-9-11(3)16-12(13)4/h9-10,14-15H,6,8H2,1-4H3
InChIKeySBGLYJROPCKYAL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine

1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine (PubChem CID 105112281) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
PubChem CID105112281
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1ccc(C)nc1C
InChIInChI=1S/C14H20N2/c1-5-7-8-14(15-6-2)13-10-9-11(3)16-12(13)4/h9-10,14-15H,6,8H2,1-4H3
InChIKeySBGLYJROPCKYAL-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
N-ethyl-1-(2-fluoro-4-methylphenyl)pent-3-yn-1-amine
CID 115819786
1-(2,6-dimethyl-3-pyridinyl)-N-ethyloctan-1-amine
CID 105124811
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
2-(2,6-dimethylphenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-ethylethanamine
CID 105174594
1-(3-bromo-2-methylphenyl)-N-ethylpent-3-yn-1-amine
CID 115819466
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 105170505
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
CID 105139820
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine (CID 105112281) is 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine?
The InChIKey is SBGLYJROPCKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-7-8-14(15-6-2)13-10-9-11(3)16-12(13)4/h9-10,14-15H,6,8H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 105112281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).