2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine

C16H31NO2 — CID 79905252

IUPAC2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine
SMILESCCC(CC)(CN)OC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-15(4-2,13-17)19-14-8-11-18-16(12-14)9-6-5-7-10-16/h14H,3-13,17H2,1-2H3
InChIKeyRYTXRIDTJUSPEY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.40
Rot. Bonds5

About 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine

2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine (PubChem CID 79905252) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine
PubChem CID79905252
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine
SMILESCCC(CC)(CN)OC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-3-15(4-2,13-17)19-14-8-11-18-16(12-14)9-6-5-7-10-16/h14H,3-13,17H2,1-2H3
InChIKeyRYTXRIDTJUSPEY-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
CID 79900577
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
CID 79904420
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
(4R,6R)-4-methoxy-1-oxa-8-azaspiro[5.5]undecan-8-amine
CID 129496915
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine?
The IUPAC name of 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine (CID 79905252) is 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine is CCC(CC)(CN)OC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine?
The InChIKey is RYTXRIDTJUSPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-15(4-2,13-17)19-14-8-11-18-16(12-14)9-6-5-7-10-16/h14H,3-13,17H2,1-2H3.
What are the key properties of 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine?
2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine is sourced from PubChem (CID 79905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).