N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine

C15H29NO2 — CID 113477257

IUPACN-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCOC(C)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-17-13(2)12-16-14-7-10-18-15(11-14)8-5-4-6-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDDUVXQHTBZAZKT-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds5

About N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 113477257) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID113477257
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCOC(C)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-17-13(2)12-16-14-7-10-18-15(11-14)8-5-4-6-9-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDDUVXQHTBZAZKT-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 102698037
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine (CID 113477257) is N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine is CCOC(C)CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is DDUVXQHTBZAZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-17-13(2)12-16-14-7-10-18-15(11-14)8-5-4-6-9-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 113477257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).