N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine

C15H23N3 — CID 112584544

IUPACN-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC)c1ccc(C(CC)NCC)nc1
InChIInChI=1S/C15H23N3/c1-5-11-18(8-4)13-9-10-15(17-12-13)14(6-2)16-7-3/h1,9-10,12,14,16H,6-8,11H2,2-4H3
InChIKeyVILKRFJKLTYWFO-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.60
Rot. Bonds7

About N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine

N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine (PubChem CID 112584544) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
PubChem CID112584544
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
SMILESC#CCN(CC)c1ccc(C(CC)NCC)nc1
InChIInChI=1S/C15H23N3/c1-5-11-18(8-4)13-9-10-15(17-12-13)14(6-2)16-7-3/h1,9-10,12,14,16H,6-8,11H2,2-4H3
InChIKeyVILKRFJKLTYWFO-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
N-cyclohexyl-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939191
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine?
The IUPAC name of N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine (CID 112584544) is N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine.
What is the SMILES notation for N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine?
The canonical SMILES for N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine is C#CCN(CC)c1ccc(C(CC)NCC)nc1.
What is the InChIKey of N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine?
The InChIKey is VILKRFJKLTYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-11-18(8-4)13-9-10-15(17-12-13)14(6-2)16-7-3/h1,9-10,12,14,16H,6-8,11H2,2-4H3.
What are the key properties of N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine?
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine has a molecular weight of 245.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine is sourced from PubChem (CID 112584544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).