N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C16H30N2O — CID 83221374

IUPACN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H30N2O/c1-3-15-7-4-13(2)18(15)11-16(8-9-19-12-16)10-17-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyAGRBXKPWXSLSDJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds6

About N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 83221374) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID83221374
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H30N2O/c1-3-15-7-4-13(2)18(15)11-16(8-9-19-12-16)10-17-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyAGRBXKPWXSLSDJ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 83221374) is N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CCC1CCC(C)N1CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is AGRBXKPWXSLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-15-7-4-13(2)18(15)11-16(8-9-19-12-16)10-17-14-5-6-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83221374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).