N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine

C11H24N2O — CID 62261764

IUPACN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C)CCOC1
InChIInChI=1S/C11H24N2O/c1-10(2)12-7-11(8-13(3)4)5-6-14-9-11/h10,12H,5-9H2,1-4H3
InChIKeyRVBXXPQBPMERDW-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62261764) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62261764
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)C)CCOC1
InChIInChI=1S/C11H24N2O/c1-10(2)12-7-11(8-13(3)4)5-6-14-9-11/h10,12H,5-9H2,1-4H3
InChIKeyRVBXXPQBPMERDW-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
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]propan-2-amine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62261764) is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)C)CCOC1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is RVBXXPQBPMERDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)12-7-11(8-13(3)4)5-6-14-9-11/h10,12H,5-9H2,1-4H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 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]propan-2-amine is sourced from PubChem (CID 62261764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).