3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine

C16H31NO2 — CID 79894633

IUPAC3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-14(2)17-10-6-11-18-15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyHVQMVUIGKJPKEY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds6

About 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine

3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine (PubChem CID 79894633) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
PubChem CID79894633
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H31NO2/c1-14(2)17-10-6-11-18-15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15,17H,3-13H2,1-2H3
InChIKeyHVQMVUIGKJPKEY-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
CID 79900577
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)propan-1-amine
CID 79894166
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-(2-cyclopentyloxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903516

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine (CID 79894633) is 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOC1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is HVQMVUIGKJPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2)17-10-6-11-18-15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine?
3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79894633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).