N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine

C16H30N2O — CID 66371193

IUPACN-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C16H30N2O/c1-3-16(4-2,11-17-13-5-6-13)12-18-9-14-7-8-15(10-18)19-14/h13-15,17H,3-12H2,1-2H3
InChIKeyVJSVGJMWWVTYHQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds7

About N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine

N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine (PubChem CID 66371193) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine
PubChem CID66371193
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C16H30N2O/c1-3-16(4-2,11-17-13-5-6-13)12-18-9-14-7-8-15(10-18)19-14/h13-15,17H,3-12H2,1-2H3
InChIKeyVJSVGJMWWVTYHQ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine (CID 66371193) is N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine is CCC(CC)(CNC1CC1)CN1CC2CCC(C1)O2.
What is the InChIKey of N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine?
The InChIKey is VJSVGJMWWVTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-16(4-2,11-17-13-5-6-13)12-18-9-14-7-8-15(10-18)19-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine?
N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 66371193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).