N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

C16H32N2O — CID 83222036

IUPACN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2C(C)CCC2CC)O1
InChIInChI=1S/C16H32N2O/c1-4-10-17-11-15-8-9-16(19-15)12-18-13(3)6-7-14(18)5-2/h13-17H,4-12H2,1-3H3
InChIKeyJLCNQNYTJJXTDG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds7

About N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 83222036) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID83222036
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2C(C)CCC2CC)O1
InChIInChI=1S/C16H32N2O/c1-4-10-17-11-15-8-9-16(19-15)12-18-13(3)6-7-14(18)5-2/h13-17H,4-12H2,1-3H3
InChIKeyJLCNQNYTJJXTDG-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62439517
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63620317
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62433524
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62448136
N-[[5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62432885
N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348207
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62426894
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106589331
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 83222036) is N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2C(C)CCC2CC)O1.
What is the InChIKey of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is JLCNQNYTJJXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-10-17-11-15-8-9-16(19-15)12-18-13(3)6-7-14(18)5-2/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 83222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).