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

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

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Related Compounds

N-[2-ethyl-2-[(4-propylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 62261471
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
CID 107226446
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
N-[2-ethyl-2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]butyl]cyclopropanamine
CID 83221375
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
CID 79933628
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756

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).