N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine

C27H34N2O — CID 66689031

IUPACN-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1
InChIInChI=1S/C27H34N2O/c1-28-26-15-16-29(21-26)20-23-11-12-25-19-27(14-13-24(25)18-23)30-17-7-3-6-10-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,18-19,26,28H,3,6-7,10,15-17,20-21H2,1H3
InChIKeyZRCIZIKJUKWIGT-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.43
Rot. Bonds10

About N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine

N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 66689031) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
PubChem CID66689031
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1
InChIInChI=1S/C27H34N2O/c1-28-26-15-16-29(21-26)20-23-11-12-25-19-27(14-13-24(25)18-23)30-17-7-3-6-10-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,18-19,26,28H,3,6-7,10,15-17,20-21H2,1H3
InChIKeyZRCIZIKJUKWIGT-UHFFFAOYSA-N
XLogP5.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-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

1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852965
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]-1,4-diazepane
CID 66689962
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[[6-[3-(4-chlorophenyl)propoxy]naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66853150
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine (CID 66689031) is N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine is CNC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1.
What is the InChIKey of N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is ZRCIZIKJUKWIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-28-26-15-16-29(21-26)20-23-11-12-25-19-27(14-13-24(25)18-23)30-17-7-3-6-10-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,18-19,26,28H,3,6-7,10,15-17,20-21H2,1H3.
What are the key properties of N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine?
N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 402.58 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 66689031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).