N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H26N2O — CID 103781301

IUPACN-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)C1CCOCC1
InChIInChI=1S/C14H26N2O/c1-11(12-5-9-17-10-6-12)15-13-4-8-16-7-2-3-14(13)16/h11-15H,2-10H2,1H3
InChIKeySNLLUCKFIHNZPH-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 103781301) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID103781301
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)C1CCOCC1
InChIInChI=1S/C14H26N2O/c1-11(12-5-9-17-10-6-12)15-13-4-8-16-7-2-3-14(13)16/h11-15H,2-10H2,1H3
InChIKeySNLLUCKFIHNZPH-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255
1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine
CID 97323727
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752336
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
N-(4,4,4-trifluorobutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 115716868
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752346
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-(2-morpholin-4-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967639

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 103781301) is N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC(NC1CCN2CCCC12)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is SNLLUCKFIHNZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(12-5-9-17-10-6-12)15-13-4-8-16-7-2-3-14(13)16/h11-15H,2-10H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 103781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).