N-propyl-1-pyridin-2-yloct-6-yn-3-amine

C16H24N2 — CID 105181373

IUPACN-propyl-1-pyridin-2-yloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccccn1)NCCC
InChIInChI=1S/C16H24N2/c1-3-5-6-9-15(17-13-4-2)11-12-16-10-7-8-14-18-16/h7-8,10,14-15,17H,4,6,9,11-13H2,1-2H3
InChIKeyCSACAVJAWUKAQB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.19
Rot. Bonds8

About N-propyl-1-pyridin-2-yloct-6-yn-3-amine

N-propyl-1-pyridin-2-yloct-6-yn-3-amine (PubChem CID 105181373) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-propyl-1-pyridin-2-yloct-6-yn-3-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-2-yloct-6-yn-3-amine
PubChem CID105181373
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-propyl-1-pyridin-2-yloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccccn1)NCCC
InChIInChI=1S/C16H24N2/c1-3-5-6-9-15(17-13-4-2)11-12-16-10-7-8-14-18-16/h7-8,10,14-15,17H,4,6,9,11-13H2,1-2H3
InChIKeyCSACAVJAWUKAQB-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.19
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

7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
CID 105176977
6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-propylheptadec-2-yn-6-amine
CID 105037149

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-2-yloct-6-yn-3-amine?
The IUPAC name of N-propyl-1-pyridin-2-yloct-6-yn-3-amine (CID 105181373) is N-propyl-1-pyridin-2-yloct-6-yn-3-amine.
What is the SMILES notation for N-propyl-1-pyridin-2-yloct-6-yn-3-amine?
The canonical SMILES for N-propyl-1-pyridin-2-yloct-6-yn-3-amine is CC#CCCC(CCc1ccccn1)NCCC.
What is the InChIKey of N-propyl-1-pyridin-2-yloct-6-yn-3-amine?
The InChIKey is CSACAVJAWUKAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-5-6-9-15(17-13-4-2)11-12-16-10-7-8-14-18-16/h7-8,10,14-15,17H,4,6,9,11-13H2,1-2H3.
What are the key properties of N-propyl-1-pyridin-2-yloct-6-yn-3-amine?
N-propyl-1-pyridin-2-yloct-6-yn-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-2-yloct-6-yn-3-amine is sourced from PubChem (CID 105181373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).