N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C17H32N2O — CID 83221379

IUPACN-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H32N2O/c1-3-16-7-4-14(2)19(16)13-17(8-10-20-11-9-17)12-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3
InChIKeySORYSIZBJSMILE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 83221379) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID83221379
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCC1CCC(C)N1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H32N2O/c1-3-16-7-4-14(2)19(16)13-17(8-10-20-11-9-17)12-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3
InChIKeySORYSIZBJSMILE-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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 83221379) is N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CCC1CCC(C)N1CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is SORYSIZBJSMILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-16-7-4-14(2)19(16)13-17(8-10-20-11-9-17)12-18-15-5-6-15/h14-16,18H,3-13H2,1-2H3.
What are the key properties of N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine 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-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83221379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).