N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine

C14H28N2O — CID 114240359

IUPACN-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESC1CCCC(CNCCC2CCCO2)NCC1
InChIInChI=1S/C14H28N2O/c1-2-4-9-16-13(6-3-1)12-15-10-8-14-7-5-11-17-14/h13-16H,1-12H2
InChIKeyOQQUZDQRIRHNQK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.07
Rot. Bonds5

About N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine

N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 114240359) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
PubChem CID114240359
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
SMILESC1CCCC(CNCCC2CCCO2)NCC1
InChIInChI=1S/C14H28N2O/c1-2-4-9-16-13(6-3-1)12-15-10-8-14-7-5-11-17-14/h13-16H,1-12H2
InChIKeyOQQUZDQRIRHNQK-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196
2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
1-(azocan-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)methanamine
CID 114240339
3-(oxan-2-yl)-N-(2-piperidin-2-ylethyl)propanamide
CID 63952925

Frequently Asked Questions

What is the IUPAC name of N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine (CID 114240359) is N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine is C1CCCC(CNCCC2CCCO2)NCC1.
What is the InChIKey of N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is OQQUZDQRIRHNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-4-9-16-13(6-3-1)12-15-10-8-14-7-5-11-17-14/h13-16H,1-12H2.
What are the key properties of N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine?
N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-2-ylmethyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114240359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).