N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine

C15H29NO2 — CID 103037001

IUPACN-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCOC(C)(C)CCC1(CNC2CC2)CCOC1C
InChIInChI=1S/C15H29NO2/c1-12-15(9-10-18-12,11-16-13-5-6-13)8-7-14(2,3)17-4/h12-13,16H,5-11H2,1-4H3
InChIKeyIMTDQKNAGLXTKW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 103037001) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID103037001
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCOC(C)(C)CCC1(CNC2CC2)CCOC1C
InChIInChI=1S/C15H29NO2/c1-12-15(9-10-18-12,11-16-13-5-6-13)8-7-14(2,3)17-4/h12-13,16H,5-11H2,1-4H3
InChIKeyIMTDQKNAGLXTKW-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-methyl-3-(3-methylsulfanylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 114534915
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106730412
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 103014853
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534792
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535029
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine (CID 103037001) is N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine is COC(C)(C)CCC1(CNC2CC2)CCOC1C.
What is the InChIKey of N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is IMTDQKNAGLXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-15(9-10-18-12,11-16-13-5-6-13)8-7-14(2,3)17-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103037001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).