N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine

C15H21NO2 — CID 79897459

IUPACN-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(NC2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h1-5,14,16H,6-12H2
InChIKeyBXMUKKZEVVVOCN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.83
Rot. Bonds2

About N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine

N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79897459) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79897459
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(NC2CCOC3(CCOCC3)C2)cc1
InChIInChI=1S/C15H21NO2/c1-2-4-13(5-3-1)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h1-5,14,16H,6-12H2
InChIKeyBXMUKKZEVVVOCN-UHFFFAOYSA-N
XLogP2.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-1,9-dioxaspiro[5.5]undecan-4-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-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-benzothiazol-2-amine
CID 70778453
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
CID 70742226
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-(2,6-dibromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79902165

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79897459) is N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine is c1ccc(NC2CCOC3(CCOCC3)C2)cc1.
What is the InChIKey of N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is BXMUKKZEVVVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-4-13(5-3-1)16-14-6-9-18-15(12-14)7-10-17-11-8-15/h1-5,14,16H,6-12H2.
What are the key properties of N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine?
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).