N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine

C15H31NO — CID 114104284

IUPACN-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)C1CCOC1CC
InChIInChI=1S/C15H31NO/c1-6-14-12(9-11-17-14)13(16-7-2)8-10-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyKAJOCVMDZQTUOE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine

N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine (PubChem CID 114104284) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
PubChem CID114104284
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
SMILESCCNC(CCC(C)(C)C)C1CCOC1CC
InChIInChI=1S/C15H31NO/c1-6-14-12(9-11-17-14)13(16-7-2)8-10-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyKAJOCVMDZQTUOE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
CID 104995134
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953
N-ethyl-1-(4-ethylmorpholin-2-yl)-4,4-dimethylpentan-1-amine
CID 79669489
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 79665225
1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
CID 114104266
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114104451
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
1-cyclobutyl-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032134
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
N-[(5-bromo-2-methylthiophen-3-yl)-(2-ethyloxolan-3-yl)methyl]ethanamine
CID 114105516
2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
CID 114225798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine (CID 114104284) is N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine is CCNC(CCC(C)(C)C)C1CCOC1CC.
What is the InChIKey of N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is KAJOCVMDZQTUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-14-12(9-11-17-14)13(16-7-2)8-10-15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine?
N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 114104284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).