N-ethyl-1-pyridin-4-yloct-6-yn-3-amine

C15H22N2 — CID 105181542

IUPACN-ethyl-1-pyridin-4-yloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccncc1)NCC
InChIInChI=1S/C15H22N2/c1-3-5-6-7-15(17-4-2)9-8-14-10-12-16-13-11-14/h10-13,15,17H,4,6-9H2,1-2H3
InChIKeyDMSGVPCRMLBETO-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-1-pyridin-4-yloct-6-yn-3-amine

N-ethyl-1-pyridin-4-yloct-6-yn-3-amine (PubChem CID 105181542) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-ethyl-1-pyridin-4-yloct-6-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-4-yloct-6-yn-3-amine
PubChem CID105181542
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-1-pyridin-4-yloct-6-yn-3-amine
SMILESCC#CCCC(CCc1ccncc1)NCC
InChIInChI=1S/C15H22N2/c1-3-5-6-7-15(17-4-2)9-8-14-10-12-16-13-11-14/h10-13,15,17H,4,6-9H2,1-2H3
InChIKeyDMSGVPCRMLBETO-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.80
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

N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151
N-ethyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105112477
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-pyridin-4-ylhept-5-yn-2-amine
CID 104805272
1-pyridin-4-ylhept-5-yn-3-amine
CID 105112690
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-4-yloct-6-yn-3-amine?
The IUPAC name of N-ethyl-1-pyridin-4-yloct-6-yn-3-amine (CID 105181542) is N-ethyl-1-pyridin-4-yloct-6-yn-3-amine.
What is the SMILES notation for N-ethyl-1-pyridin-4-yloct-6-yn-3-amine?
The canonical SMILES for N-ethyl-1-pyridin-4-yloct-6-yn-3-amine is CC#CCCC(CCc1ccncc1)NCC.
What is the InChIKey of N-ethyl-1-pyridin-4-yloct-6-yn-3-amine?
The InChIKey is DMSGVPCRMLBETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-6-7-15(17-4-2)9-8-14-10-12-16-13-11-14/h10-13,15,17H,4,6-9H2,1-2H3.
What are the key properties of N-ethyl-1-pyridin-4-yloct-6-yn-3-amine?
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridin-4-yloct-6-yn-3-amine is sourced from PubChem (CID 105181542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).