N-methyl-1-pyridin-2-yloct-7-yn-3-amine

C14H20N2 — CID 105179646

IUPACN-methyl-1-pyridin-2-yloct-7-yn-3-amine
SMILESC#CCCCC(CCc1ccccn1)NC
InChIInChI=1S/C14H20N2/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,6-7,9,12-13,15H,4-5,8,10-11H2,2H3
InChIKeyMEGLFYPLMLYFPB-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.41
Rot. Bonds7

About N-methyl-1-pyridin-2-yloct-7-yn-3-amine

N-methyl-1-pyridin-2-yloct-7-yn-3-amine (PubChem CID 105179646) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-1-pyridin-2-yloct-7-yn-3-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-2-yloct-7-yn-3-amine
PubChem CID105179646
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-1-pyridin-2-yloct-7-yn-3-amine
SMILESC#CCCCC(CCc1ccccn1)NC
InChIInChI=1S/C14H20N2/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,6-7,9,12-13,15H,4-5,8,10-11H2,2H3
InChIKeyMEGLFYPLMLYFPB-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.41
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-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
1-pyridin-2-ylhept-6-yn-3-ylhydrazine
CID 105307905
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
CID 114193168
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
CID 105176977
(6-methoxy-1-pyridin-2-ylhexan-3-yl)hydrazine
CID 105342539
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-2-yloct-7-yn-3-amine?
The IUPAC name of N-methyl-1-pyridin-2-yloct-7-yn-3-amine (CID 105179646) is N-methyl-1-pyridin-2-yloct-7-yn-3-amine.
What is the SMILES notation for N-methyl-1-pyridin-2-yloct-7-yn-3-amine?
The canonical SMILES for N-methyl-1-pyridin-2-yloct-7-yn-3-amine is C#CCCCC(CCc1ccccn1)NC.
What is the InChIKey of N-methyl-1-pyridin-2-yloct-7-yn-3-amine?
The InChIKey is MEGLFYPLMLYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,6-7,9,12-13,15H,4-5,8,10-11H2,2H3.
What are the key properties of N-methyl-1-pyridin-2-yloct-7-yn-3-amine?
N-methyl-1-pyridin-2-yloct-7-yn-3-amine has a molecular weight of 216.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-2-yloct-7-yn-3-amine is sourced from PubChem (CID 105179646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).