N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C15H28N2O2 — CID 82853110

IUPACN-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC(CNC1CCN2CCCC12)COCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-5-15-14(6-9-17(15)8-1)16-7-3-10-18-12-13-4-2-11-19-13/h13-16H,1-12H2
InChIKeyZRQMGKWSYBQBCP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds7

About N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853110) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853110
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC(CNC1CCN2CCCC12)COCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-5-15-14(6-9-17(15)8-1)16-7-3-10-18-12-13-4-2-11-19-13/h13-16H,1-12H2
InChIKeyZRQMGKWSYBQBCP-UHFFFAOYSA-N
XLogP1.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclohexan-1-amine
CID 43182518
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
CID 120605728
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853110) is N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is C(CNC1CCN2CCCC12)COCC1CCCO1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is ZRQMGKWSYBQBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-15-14(6-9-17(15)8-1)16-7-3-10-18-12-13-4-2-11-19-13/h13-16H,1-12H2.
What are the key properties of N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).