N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine

C13H18N2 — CID 105077588

IUPACN-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
SMILESC#CCC(CCc1ccncc1)NCC
InChIInChI=1S/C13H18N2/c1-3-5-13(15-4-2)7-6-12-8-10-14-11-9-12/h1,8-11,13,15H,4-7H2,2H3
InChIKeyURVQZKHCMUNDTQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.02
Rot. Bonds6

About N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine

N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine (PubChem CID 105077588) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
PubChem CID105077588
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
SMILESC#CCC(CCc1ccncc1)NCC
InChIInChI=1S/C13H18N2/c1-3-5-13(15-4-2)7-6-12-8-10-14-11-9-12/h1,8-11,13,15H,4-7H2,2H3
InChIKeyURVQZKHCMUNDTQ-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.02
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-yloct-6-yn-3-amine
CID 105181542
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
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-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
N-ethyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105112477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine?
The IUPAC name of N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine (CID 105077588) is N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine.
What is the SMILES notation for N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine?
The canonical SMILES for N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine is C#CCC(CCc1ccncc1)NCC.
What is the InChIKey of N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine?
The InChIKey is URVQZKHCMUNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-5-13(15-4-2)7-6-12-8-10-14-11-9-12/h1,8-11,13,15H,4-7H2,2H3.
What are the key properties of N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine?
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.02, 6 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-ylhex-5-yn-3-amine is sourced from PubChem (CID 105077588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).