N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine

C14H28N2O — CID 62511985

IUPACN-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOC1CCCC1N1CCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-12-7-8-16(10-12)13-5-4-6-14(13)17-3/h11-15H,4-10H2,1-3H3
InChIKeyYBPHVMNWFLAXDU-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62511985) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62511985
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOC1CCCC1N1CCC(CNC(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-12-7-8-16(10-12)13-5-4-6-14(13)17-3/h11-15H,4-10H2,1-3H3
InChIKeyYBPHVMNWFLAXDU-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62511985) is N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine is COC1CCCC1N1CCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is YBPHVMNWFLAXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-9-12-7-8-16(10-12)13-5-4-6-14(13)17-3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxycyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62511985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).