N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine

C16H34N2O — CID 55051568

IUPACN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H34N2O/c1-6-8-10-18(7-2)13-16(9-11-19-14-16)12-17-15(3,4)5/h17H,6-14H2,1-5H3
InChIKeyLCJDOKJYQVAMLI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine

N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine (PubChem CID 55051568) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine
PubChem CID55051568
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H34N2O/c1-6-8-10-18(7-2)13-16(9-11-19-14-16)12-17-15(3,4)5/h17H,6-14H2,1-5H3
InChIKeyLCJDOKJYQVAMLI-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine (CID 55051568) is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine is CCCCN(CC)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine?
The InChIKey is LCJDOKJYQVAMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-10-18(7-2)13-16(9-11-19-14-16)12-17-15(3,4)5/h17H,6-14H2,1-5H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine?
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 55051568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).