3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine

C16H30ClNO — CID 102900741

IUPAC3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H30ClNO/c1-14(2)18(12-6-11-17)13-15-7-10-16(19-15)8-4-3-5-9-16/h14-15H,3-13H2,1-2H3
InChIKeyOZFXXBNNQUEYRX-UHFFFAOYSA-N
MW287.88 g/mol
LogP4.21
Rot. Bonds6

About 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine

3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 102900741) has the molecular formula C16H30ClNO and a molecular weight of 287.88 g/mol. Its IUPAC name is 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID102900741
Molecular FormulaC16H30ClNO
Molecular Weight287.88 g/mol
Exact Mass287.20
IUPAC Name3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H30ClNO/c1-14(2)18(12-6-11-17)13-15-7-10-16(19-15)8-4-3-5-9-16/h14-15H,3-13H2,1-2H3
InChIKeyOZFXXBNNQUEYRX-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 54.21
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[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 102637528
3-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]propanenitrile
CID 102848113
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
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 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 102900741) is 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine is CC(C)N(CCCCl)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OZFXXBNNQUEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-14(2)18(12-6-11-17)13-15-7-10-16(19-15)8-4-3-5-9-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 287.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102900741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).