2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C14H26ClNO — CID 102900753

IUPAC2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCCN(CCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26ClNO/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-12H2,1H3
InChIKeyDBMAYTSBBRQJLB-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102900753) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102900753
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCCN(CCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26ClNO/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-12H2,1H3
InChIKeyDBMAYTSBBRQJLB-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848075
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083
2-Methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
CID 102848103
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
4-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900740
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900742
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102900753) is 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is CCN(CCCl)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is DBMAYTSBBRQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-2-16(11-10-15)12-13-6-9-14(17-13)7-4-3-5-8-14/h13H,2-12H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 259.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102900753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).