4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

C15H28ClNO — CID 102900846

IUPAC4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCC(CCCl)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-2-13(6-10-16)11-17-12-14-5-9-15(18-14)7-3-4-8-15/h13-14,17H,2-12H2,1H3
InChIKeyDCQLYJFLXRWFIS-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.72
Rot. Bonds7

About 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine

4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (PubChem CID 102900846) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
PubChem CID102900846
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
SMILESCCC(CCCl)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H28ClNO/c1-2-13(6-10-16)11-17-12-14-5-9-15(18-14)7-3-4-8-15/h13-14,17H,2-12H2,1H3
InChIKeyDCQLYJFLXRWFIS-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102900973
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine (CID 102900846) is 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is CCC(CCCl)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
The InChIKey is DCQLYJFLXRWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-2-13(6-10-16)11-17-12-14-5-9-15(18-14)7-3-4-8-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine?
4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine has a molecular weight of 273.85 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102900846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).