1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine

C18H27NO2 — CID 79908078

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H27NO2/c1-2-18(19,15-6-4-3-5-7-15)16-8-11-21-17(14-16)9-12-20-13-10-17/h3-7,16H,2,8-14,19H2,1H3
InChIKeyVZZRRFCYFULHKO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.23
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine (PubChem CID 79908078) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
PubChem CID79908078
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H27NO2/c1-2-18(19,15-6-4-3-5-7-15)16-8-11-21-17(14-16)9-12-20-13-10-17/h3-7,16H,2,8-14,19H2,1H3
InChIKeyVZZRRFCYFULHKO-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
CID 79901467
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
CID 79899168
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
CID 64738011
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine (CID 79908078) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine?
The InChIKey is VZZRRFCYFULHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-18(19,15-6-4-3-5-7-15)16-8-11-21-17(14-16)9-12-20-13-10-17/h3-7,16H,2,8-14,19H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 79908078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).