N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

C12H24N2O — CID 63714544

IUPACN-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCC1CNCC1CNCCC1CCCO1
InChIInChI=1S/C12H24N2O/c1-10-7-14-9-11(10)8-13-5-4-12-3-2-6-15-12/h10-14H,2-9H2,1H3
InChIKeyOJJUDSOUDRFHLZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds5

About N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 63714544) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID63714544
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCC1CNCC1CNCCC1CCCO1
InChIInChI=1S/C12H24N2O/c1-10-7-14-9-11(10)8-13-5-4-12-3-2-6-15-12/h10-14H,2-9H2,1H3
InChIKeyOJJUDSOUDRFHLZ-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63714376
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
4-methyl-N-[2-(oxan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 114136026
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
N-[(4-methylpiperidin-3-yl)methyl]-3-(oxan-2-yl)propanamide
CID 114955758
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 114240359
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
CID 62311153

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 63714544) is N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is CC1CNCC1CNCCC1CCCO1.
What is the InChIKey of N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is OJJUDSOUDRFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-7-14-9-11(10)8-13-5-4-12-3-2-6-15-12/h10-14H,2-9H2,1H3.
What are the key properties of N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63714544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).