N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

C14H28N2O — CID 112588836

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,3)17-9-7-15-10-12-6-8-16(11-12)13-4-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyWCVZXLXGEVHSHT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 112588836) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID112588836
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-14(2,3)17-9-7-15-10-12-6-8-16(11-12)13-4-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyWCVZXLXGEVHSHT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
CID 60977265
N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512607
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 112588836) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCCNCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is WCVZXLXGEVHSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)17-9-7-15-10-12-6-8-16(11-12)13-4-5-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 112588836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).