2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine

C18H27NO — CID 102900183

IUPAC2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H27NO/c19-14-16(12-15-6-2-1-3-7-15)13-17-8-11-18(20-17)9-4-5-10-18/h1-3,6-7,16-17H,4-5,8-14,19H2
InChIKeyLIFPHBPFBREPES-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.69
Rot. Bonds5

About 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine

2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine (PubChem CID 102900183) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
PubChem CID102900183
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H27NO/c19-14-16(12-15-6-2-1-3-7-15)13-17-8-11-18(20-17)9-4-5-10-18/h1-3,6-7,16-17H,4-5,8-14,19H2
InChIKeyLIFPHBPFBREPES-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzyl-3-bromopropyl)-1-oxaspiro[4.5]decane
CID 102902178
2-[2-(chloromethyl)-3-(3-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902116
2-[(4-bromophenyl)methyl]-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523527
1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
CID 102901771
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
CID 102898959
2-(3-bromo-2-methyl-3-phenylpropyl)-1-oxaspiro[4.5]decane
CID 102899979
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane
CID 102902317
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine (CID 102900183) is 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine is NCC(Cc1ccccc1)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine?
The InChIKey is LIFPHBPFBREPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c19-14-16(12-15-6-2-1-3-7-15)13-17-8-11-18(20-17)9-4-5-10-18/h1-3,6-7,16-17H,4-5,8-14,19H2.
What are the key properties of 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine?
2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine is sourced from PubChem (CID 102900183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).