N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine

C14H26ClNO — CID 102900760

IUPACN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H26ClNO/c1-12(2)16(10-9-15)11-13-5-8-14(17-13)6-3-4-7-14/h12-13H,3-11H2,1-2H3
InChIKeyKYNHZKBGSIJZFB-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds5

About N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine

N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine (PubChem CID 102900760) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
PubChem CID102900760
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CCCl)CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H26ClNO/c1-12(2)16(10-9-15)11-13-5-8-14(17-13)6-3-4-7-14/h12-13H,3-11H2,1-2H3
InChIKeyKYNHZKBGSIJZFB-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)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-(Chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
CID 102784850
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102861197
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
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
CID 102900746
2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900747

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine (CID 102900760) is N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine is CC(C)N(CCCl)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
The InChIKey is KYNHZKBGSIJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-12(2)16(10-9-15)11-13-5-8-14(17-13)6-3-4-7-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine?
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine 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 N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 102900760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).