2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine

C17H33N3O — CID 82839609

IUPAC2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine
SMILESCC1CCC(C(CN)N2CCC(CN3CCCC3)CC2)O1
InChIInChI=1S/C17H33N3O/c1-14-4-5-17(21-14)16(12-18)20-10-6-15(7-11-20)13-19-8-2-3-9-19/h14-17H,2-13,18H2,1H3
InChIKeyRNLKPIZSCQSYEG-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds5

About 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine

2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine (PubChem CID 82839609) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine
PubChem CID82839609
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine
SMILESCC1CCC(C(CN)N2CCC(CN3CCCC3)CC2)O1
InChIInChI=1S/C17H33N3O/c1-14-4-5-17(21-14)16(12-18)20-10-6-15(7-11-20)13-19-8-2-3-9-19/h14-17H,2-13,18H2,1H3
InChIKeyRNLKPIZSCQSYEG-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6,7-Trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 59699537
1-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-amine
CID 69004310
1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 130280381
4-[5-(3-Amino-4-propoxypyrrolidin-1-yl)-2-methylhexoxy]-1-propan-2-ylpyrrolidin-3-amine
CID 134515072
2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 155150895
(3S)-N-tert-butyl-1-[2-[(5S,6R)-2,5-dimethyl-6-[4-[(2R)-3-methylbutan-2-yl]piperazin-1-yl]heptan-2-yl]oxyethyl]pyrrolidin-3-amine
CID 156060069
4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-pentan-2-ylpiperidin-3-amine
CID 156302528
1-butyl-1-methyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-1-ium-3-amine
CID 163914939
1,2-bis(4-decyl-5-undecyloxolan-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 171073903
N-[1-(oxolan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43308603
1-(1-ethylpiperidin-4-yl)-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 43308604
1-(1-methylpiperidin-4-yl)-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 43308605

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine (CID 82839609) is 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine is CC1CCC(C(CN)N2CCC(CN3CCCC3)CC2)O1.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine?
The InChIKey is RNLKPIZSCQSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14-4-5-17(21-14)16(12-18)20-10-6-15(7-11-20)13-19-8-2-3-9-19/h14-17H,2-13,18H2,1H3.
What are the key properties of 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine?
2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 82839609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).