N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine

C16H31NO — CID 55111675

IUPACN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCC(CC)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H31NO/c1-3-5-6-14(4-2)11-16(9-10-18-13-16)12-17-15-7-8-15/h14-15,17H,3-13H2,1-2H3
InChIKeyJVJIMKDLWSDQSX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds9

About N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55111675) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55111675
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCC(CC)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H31NO/c1-3-5-6-14(4-2)11-16(9-10-18-13-16)12-17-15-7-8-15/h14-15,17H,3-13H2,1-2H3
InChIKeyJVJIMKDLWSDQSX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine (CID 55111675) is N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine is CCCCC(CC)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is JVJIMKDLWSDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-6-14(4-2)11-16(9-10-18-13-16)12-17-15-7-8-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylhexyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55111675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).