N-(4-methoxyphenyl)spiro[4.5]decan-8-amine

C17H25NO — CID 114817121

IUPACN-(4-methoxyphenyl)spiro[4.5]decan-8-amine
SMILESCOc1ccc(NC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C17H25NO/c1-19-16-6-4-14(5-7-16)18-15-8-12-17(13-9-15)10-2-3-11-17/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyWCCLWLVZYQRSJO-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.61
Rot. Bonds3

About N-(4-methoxyphenyl)spiro[4.5]decan-8-amine

N-(4-methoxyphenyl)spiro[4.5]decan-8-amine (PubChem CID 114817121) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)spiro[4.5]decan-8-amine
PubChem CID114817121
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(4-methoxyphenyl)spiro[4.5]decan-8-amine
SMILESCOc1ccc(NC2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C17H25NO/c1-19-16-6-4-14(5-7-16)18-15-8-12-17(13-9-15)10-2-3-11-17/h4-7,15,18H,2-3,8-13H2,1H3
InChIKeyWCCLWLVZYQRSJO-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)spiro[4.5]decan-8-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-methoxyphenyl)cyclooctanamine
CID 29275692
4-(spiro[4.5]decan-8-ylamino)phenol
CID 114817410
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
1-iodo-N-(4-methoxyphenyl)piperidin-3-amine
CID 166817113
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
N-(3-iodophenyl)spiro[4.5]decan-8-amine
CID 114817215

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(4-methoxyphenyl)spiro[4.5]decan-8-amine (CID 114817121) is N-(4-methoxyphenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(4-methoxyphenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(4-methoxyphenyl)spiro[4.5]decan-8-amine is COc1ccc(NC2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)spiro[4.5]decan-8-amine?
The InChIKey is WCCLWLVZYQRSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-16-6-4-14(5-7-16)18-15-8-12-17(13-9-15)10-2-3-11-17/h4-7,15,18H,2-3,8-13H2,1H3.
What are the key properties of N-(4-methoxyphenyl)spiro[4.5]decan-8-amine?
N-(4-methoxyphenyl)spiro[4.5]decan-8-amine has a molecular weight of 259.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).