N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H28N2O — CID 80715679

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCN1CCC(C(C)NC2CC3CCC2O3)CC1
InChIInChI=1S/C15H28N2O/c1-3-17-8-6-12(7-9-17)11(2)16-14-10-13-4-5-15(14)18-13/h11-16H,3-10H2,1-2H3
InChIKeyUYUVSAZNIOXQSS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80715679) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80715679
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCN1CCC(C(C)NC2CC3CCC2O3)CC1
InChIInChI=1S/C15H28N2O/c1-3-17-8-6-12(7-9-17)11(2)16-14-10-13-4-5-15(14)18-13/h11-16H,3-10H2,1-2H3
InChIKeyUYUVSAZNIOXQSS-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]adamantan-2-amine
CID 43720406
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 43673879
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
3-[1-(1-ethylpiperidin-4-yl)ethylamino]-1-methylpyrrolidin-2-one
CID 106252496
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
1-(1-ethylpiperidin-4-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099614
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pentanimidamide
CID 80720866

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80715679) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CCN1CCC(C(C)NC2CC3CCC2O3)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is UYUVSAZNIOXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-17-8-6-12(7-9-17)11(2)16-14-10-13-4-5-15(14)18-13/h11-16H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80715679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).