N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

C18H34N2O — CID 62391325

IUPACN-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC2C2CCCC2)CCOCC1
InChIInChI=1S/C18H34N2O/c1-2-19-14-18(9-12-21-13-10-18)15-20-11-5-8-17(20)16-6-3-4-7-16/h16-17,19H,2-15H2,1H3
InChIKeyJUHNBZYTXHTMIH-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62391325) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62391325
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC2C2CCCC2)CCOCC1
InChIInChI=1S/C18H34N2O/c1-2-19-14-18(9-12-21-13-10-18)15-20-11-5-8-17(20)16-6-3-4-7-16/h16-17,19H,2-15H2,1H3
InChIKeyJUHNBZYTXHTMIH-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
CID 82751479
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 82753263
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
CID 102728271
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 62258681
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
CID 102728299

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 62391325) is N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCCC2C2CCCC2)CCOCC1.
What is the InChIKey of N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is JUHNBZYTXHTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-19-14-18(9-12-21-13-10-18)15-20-11-5-8-17(20)16-6-3-4-7-16/h16-17,19H,2-15H2,1H3.
What are the key properties of N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 294.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62391325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).