N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

C17H32N2O — CID 62435498

IUPACN-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCCC2C2CCCC2)O1
InChIInChI=1S/C17H32N2O/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-8-17(19)14-6-3-4-7-14/h14-18H,2-13H2,1H3
InChIKeyWZWYVOPLBFQBHX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 62435498) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID62435498
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCCC2C2CCCC2)O1
InChIInChI=1S/C17H32N2O/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-8-17(19)14-6-3-4-7-14/h14-18H,2-13H2,1H3
InChIKeyWZWYVOPLBFQBHX-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82751348
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62439517
N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55069730
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556037
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070194
N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
CID 55069994
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyloxolan-3-amine
CID 66259711
N-[[5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 66378309
1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 139319226

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 62435498) is N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCCC2C2CCCC2)O1.
What is the InChIKey of N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is WZWYVOPLBFQBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-8-17(19)14-6-3-4-7-14/h14-18H,2-13H2,1H3.
What are the key properties of N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62435498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).