N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine

C23H35NO — CID 54807559

IUPACN-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1c(OCC(C)C)ccc2ccccc12
InChIInChI=1S/C23H35NO/c1-4-5-6-7-8-11-16-24-17-22-21-13-10-9-12-20(21)14-15-23(22)25-18-19(2)3/h9-10,12-15,19,24H,4-8,11,16-18H2,1-3H3
InChIKeyZZZFKWKPZWAUSU-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.32
Rot. Bonds12

About N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine

N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine (PubChem CID 54807559) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
PubChem CID54807559
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC NameN-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1c(OCC(C)C)ccc2ccccc12
InChIInChI=1S/C23H35NO/c1-4-5-6-7-8-11-16-24-17-22-21-13-10-9-12-20(21)14-15-23(22)25-18-19(2)3/h9-10,12-15,19,24H,4-8,11,16-18H2,1-3H3
InChIKeyZZZFKWKPZWAUSU-UHFFFAOYSA-N
XLogP6.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-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,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17054858
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine?
The IUPAC name of N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine (CID 54807559) is N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine?
The canonical SMILES for N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine is CCCCCCCCNCc1c(OCC(C)C)ccc2ccccc12.
What is the InChIKey of N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine?
The InChIKey is ZZZFKWKPZWAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-4-5-6-7-8-11-16-24-17-22-21-13-10-9-12-20(21)14-15-23(22)25-18-19(2)3/h9-10,12-15,19,24H,4-8,11,16-18H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine?
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine has a molecular weight of 341.54 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine is sourced from PubChem (CID 54807559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).