N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine

C15H32N2O — CID 62257098

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)C(C)(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-7-16-10-15(8-9-18-12-15)11-17(6)13(2)14(3,4)5/h13,16H,7-12H2,1-6H3
InChIKeyTYMXQFUWCUYIGN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine (PubChem CID 62257098) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine
PubChem CID62257098
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine
SMILESCCNCC1(CN(C)C(C)C(C)(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-7-16-10-15(8-9-18-12-15)11-17(6)13(2)14(3,4)5/h13,16H,7-12H2,1-6H3
InChIKeyTYMXQFUWCUYIGN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 55051447
CID 55051447
CID 55051448
CID 55051448
CID 55055941
CID 55055941
CID 55056037
CID 55056037
CID 55056514
CID 55056514
CID 55056562
CID 55056562
CID 62255855
CID 62255855
CID 62255856
CID 62255856
CID 62255857
CID 62255857
CID 62256027
CID 62256027
CID 62256028
CID 62256028
CID 62256048
CID 62256048

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine (CID 62257098) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine is CCNCC1(CN(C)C(C)C(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is TYMXQFUWCUYIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-16-10-15(8-9-18-12-15)11-17(6)13(2)14(3,4)5/h13,16H,7-12H2,1-6H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 62257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).