N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine

C13H24N2O — CID 43765302

IUPACN-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCCOCC)CC1
InChIInChI=1S/C13H24N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h1,13-14H,4-12H2,2H3
InChIKeyGJSDYGGLXSMGPU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds7

About N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine

N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43765302) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43765302
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCCOCC)CC1
InChIInChI=1S/C13H24N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h1,13-14H,4-12H2,2H3
InChIKeyGJSDYGGLXSMGPU-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 103082637
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 55013087
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-[3-(cyclopropylmethoxy)propyl]-1-ethylpiperidin-4-amine
CID 28718720
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine (CID 43765302) is N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCCOCC)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is GJSDYGGLXSMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-15-10-6-13(7-11-15)14-8-5-12-16-4-2/h1,13-14H,4-12H2,2H3.
What are the key properties of N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43765302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).