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

C15H30N2O2 — CID 79679779

IUPACN-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(C)C(C)(C)COCC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H30N2O2/c1-15(2,17(3)4)11-18-10-14-8-7-13(19-14)9-16-12-5-6-12/h12-14,16H,5-11H2,1-4H3
InChIKeyBDIYJXZHEWPHQV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.64
Rot. Bonds8

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

N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 79679779) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID79679779
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(C)C(C)(C)COCC1CCC(CNC2CC2)O1
InChIInChI=1S/C15H30N2O2/c1-15(2,17(3)4)11-18-10-14-8-7-13(19-14)9-16-12-5-6-12/h12-14,16H,5-11H2,1-4H3
InChIKeyBDIYJXZHEWPHQV-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 79679779) is N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine is CN(C)C(C)(C)COCC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is BDIYJXZHEWPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,17(3)4)11-18-10-14-8-7-13(19-14)9-16-12-5-6-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79679779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).