N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

C13H25NO2 — CID 62444938

IUPACN-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCC1CCC(CNC2CC2)O1
InChIInChI=1S/C13H25NO2/c1-10(2)8-15-9-13-6-5-12(16-13)7-14-11-3-4-11/h10-14H,3-9H2,1-2H3
InChIKeyZINJQDAJTJMRBZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds7

About N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62444938) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62444938
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESCC(C)COCC1CCC(CNC2CC2)O1
InChIInChI=1S/C13H25NO2/c1-10(2)8-15-9-13-6-5-12(16-13)7-14-11-3-4-11/h10-14H,3-9H2,1-2H3
InChIKeyZINJQDAJTJMRBZ-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-(2-methylpropoxymethyl)oxolan-2-yl]methanamine
CID 62444755
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79679779
N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 106206023
N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62471799
N-[[5-[2-(2-methylpropoxy)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 106450120
N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 102740842
1-[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]-N-methylmethanamine
CID 82005877
N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62775547
N-[[5-[[ethyl(2-methylpropyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 55074640

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (CID 62444938) is N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is CC(C)COCC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZINJQDAJTJMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-15-9-13-6-5-12(16-13)7-14-11-3-4-11/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62444938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).