6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine

C16H27N3 — CID 112584559

IUPAC6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
SMILESC=CCN(CCC)c1ccc(C(CC)NCC)nc1
InChIInChI=1S/C16H27N3/c1-5-11-19(12-6-2)14-9-10-16(18-13-14)15(7-3)17-8-4/h5,9-10,13,15,17H,1,6-8,11-12H2,2-4H3
InChIKeyUKTPKGXGKPLTNO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds9

About 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine

6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine (PubChem CID 112584559) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
PubChem CID112584559
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
SMILESC=CCN(CCC)c1ccc(C(CC)NCC)nc1
InChIInChI=1S/C16H27N3/c1-5-11-19(12-6-2)14-9-10-16(18-13-14)15(7-3)17-8-4/h5,9-10,13,15,17H,1,6-8,11-12H2,2-4H3
InChIKeyUKTPKGXGKPLTNO-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939787
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571
2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
6-[1-(methylamino)propyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 112584561
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
N-butyl-N-cyclopropyl-6-[1-(ethylamino)propyl]pyridin-3-amine
CID 115939376
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine?
The IUPAC name of 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine (CID 112584559) is 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine.
What is the SMILES notation for 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine?
The canonical SMILES for 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine is C=CCN(CCC)c1ccc(C(CC)NCC)nc1.
What is the InChIKey of 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine?
The InChIKey is UKTPKGXGKPLTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-11-19(12-6-2)14-9-10-16(18-13-14)15(7-3)17-8-4/h5,9-10,13,15,17H,1,6-8,11-12H2,2-4H3.
What are the key properties of 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine?
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine is sourced from PubChem (CID 112584559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).