N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine

C14H29NO — CID 115832973

IUPACN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
SMILESCCCCC(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO/c1-6-8-9-13(15-7-2)14-10(3)11(4)16-12(14)5/h10-15H,6-9H2,1-5H3
InChIKeyHQWWIQKCGBFIQI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine

N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine (PubChem CID 115832973) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
PubChem CID115832973
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
SMILESCCCCC(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO/c1-6-8-9-13(15-7-2)14-10(3)11(4)16-12(14)5/h10-15H,6-9H2,1-5H3
InChIKeyHQWWIQKCGBFIQI-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 105050089
3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115848550
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 103030299
1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
CID 115783440
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115794268
2-(2-chlorophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155941
N-ethyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65420843
N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
CID 105001033
N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-yn-1-amine
CID 104995859
N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
CID 115835493
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
CID 115832332
N-ethyl-2-(2-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine (CID 115832973) is N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine is CCCCC(NCC)C1C(C)OC(C)C1C.
What is the InChIKey of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The InChIKey is HQWWIQKCGBFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-8-9-13(15-7-2)14-10(3)11(4)16-12(14)5/h10-15H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 115832973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).