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

C10H22N2O — CID 62261574

IUPACN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)C)CCOC1
InChIInChI=1S/C10H22N2O/c1-4-11-7-10(8-12(2)3)5-6-13-9-10/h11H,4-9H2,1-3H3
InChIKeyKMHNRSBSKGPFRN-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds5

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

N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 62261574) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID62261574
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN(C)C)CCOC1
InChIInChI=1S/C10H22N2O/c1-4-11-7-10(8-12(2)3)5-6-13-9-10/h11H,4-9H2,1-3H3
InChIKeyKMHNRSBSKGPFRN-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
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]ethanamine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine (CID 62261574) is N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN(C)C)CCOC1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is KMHNRSBSKGPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-11-7-10(8-12(2)3)5-6-13-9-10/h11H,4-9H2,1-3H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(dimethylamino)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 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]ethanamine is sourced from PubChem (CID 62261574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).