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

C13H24ClNO — CID 102900748

IUPAC2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24ClNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyJJCYXUALIROZRR-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.04
Rot. Bonds4

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

2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102900748) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102900748
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24ClNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyJJCYXUALIROZRR-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.04
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-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102900748) is 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is CN(CCCl)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is JJCYXUALIROZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 245.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102900748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).