N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C17H25NO2 — CID 103894107

IUPACN-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1ccc(CNC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-20-17(11-16)8-10-19-13-17/h3-6,16,18H,2,7-13H2,1H3
InChIKeyZBFWMUHEQPDZHW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.68
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 103894107) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID103894107
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCCc1ccc(CNC2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C17H25NO2/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-20-17(11-16)8-10-19-13-17/h3-6,16,18H,2,7-13H2,1H3
InChIKeyZBFWMUHEQPDZHW-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylphenyl)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-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]benzonitrile
CID 79902616
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
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
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
(4S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580007
2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
CID 114756280
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 103894107) is N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is CCc1ccc(CNC2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is ZBFWMUHEQPDZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-14-3-5-15(6-4-14)12-18-16-7-9-20-17(11-16)8-10-19-13-17/h3-6,16,18H,2,7-13H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 275.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 103894107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).