2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C12H22ClNO — CID 102900747

IUPAC2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H22ClNO/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-10H2,1H3
InChIKeyPFOIOSRRPNMDRJ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds4

About 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102900747) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102900747
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCN(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H22ClNO/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-10H2,1H3
InChIKeyPFOIOSRRPNMDRJ-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
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-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897996
2-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897997
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
CID 102897998
1-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol
CID 102900059
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
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[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102900747) is 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is CN(CCCl)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is PFOIOSRRPNMDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 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[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102900747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).