N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

C11H22N2O — CID 62261765

IUPACN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C11H22N2O/c1-13(2)8-11(5-6-14-9-11)7-12-10-3-4-10/h10,12H,3-9H2,1-2H3
InChIKeyNMXLRUDVBMUSJU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261765) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261765
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C11H22N2O/c1-13(2)8-11(5-6-14-9-11)7-12-10-3-4-10/h10,12H,3-9H2,1-2H3
InChIKeyNMXLRUDVBMUSJU-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62261765) is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is CN(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is NMXLRUDVBMUSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(2)8-11(5-6-14-9-11)7-12-10-3-4-10/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).