N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine

C15H29NO — CID 102898997

IUPACN-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
SMILESCCNC(CC)CCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-3-13(16-4-2)7-8-14-9-12-15(17-14)10-5-6-11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLVEZKVLKABGJQF-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds6

About N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine

N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine (PubChem CID 102898997) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
PubChem CID102898997
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
SMILESCCNC(CC)CCC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO/c1-3-13(16-4-2)7-8-14-9-12-15(17-14)10-5-6-11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyLVEZKVLKABGJQF-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-(3-chloro-3-cyclopentylpropyl)-1-oxaspiro[4.4]nonane
CID 102899975
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine (CID 102898997) is N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine is CCNC(CC)CCC1CCC2(CCCC2)O1.
What is the InChIKey of N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine?
The InChIKey is LVEZKVLKABGJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-13(16-4-2)7-8-14-9-12-15(17-14)10-5-6-11-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine?
N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine is sourced from PubChem (CID 102898997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).