N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine

C14H29NO2 — CID 114105549

IUPACN-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCCC1OCCC1CNCCOCCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-14-13(6-9-17-14)11-15-7-10-16-8-5-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyIQSFARYFZZQVHY-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds9

About N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine

N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 114105549) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
PubChem CID114105549
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCCC1OCCC1CNCCOCCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-14-13(6-9-17-14)11-15-7-10-16-8-5-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyIQSFARYFZZQVHY-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
CID 66006380
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
N-(cyclopropylmethyl)-2-[(2-ethyloxolan-3-yl)methylamino]acetamide
CID 114105561

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine (CID 114105549) is N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine is CCC1OCCC1CNCCOCCC(C)C.
What is the InChIKey of N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is IQSFARYFZZQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-14-13(6-9-17-14)11-15-7-10-16-8-5-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine?
N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 114105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).