(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C18H27NO2 — CID 97255391

IUPAC(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(C)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-8-14(2)17(15(3)9-13)11-19-16-4-6-21-18(10-16)5-7-20-12-18/h8-9,16,19H,4-7,10-12H2,1-3H3/t16-,18-/m1/s1
InChIKeyUCAHIJDFWKZRNG-SJLPKXTDSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds3

About (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 97255391) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID97255391
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(C)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-8-14(2)17(15(3)9-13)11-19-16-4-6-21-18(10-16)5-7-20-12-18/h8-9,16,19H,4-7,10-12H2,1-3H3/t16-,18-/m1/s1
InChIKeyUCAHIJDFWKZRNG-SJLPKXTDSA-N
XLogP3.04
TPSA30.49 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903000
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106370958
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 97255391) is (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is Cc1cc(C)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1.
What is the InChIKey of (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is UCAHIJDFWKZRNG-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-8-14(2)17(15(3)9-13)11-19-16-4-6-21-18(10-16)5-7-20-12-18/h8-9,16,19H,4-7,10-12H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 289.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97255391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).