N-(3,3-diethoxypropyl)naphthalen-1-amine

C17H23NO2 — CID 81094321

IUPACN-(3,3-diethoxypropyl)naphthalen-1-amine
SMILESCCOC(CCNc1cccc2ccccc12)OCC
InChIInChI=1S/C17H23NO2/c1-3-19-17(20-4-2)12-13-18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12-13H2,1-2H3
InChIKeyLCOKDWFAQYIANS-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.04
Rot. Bonds8

About N-(3,3-diethoxypropyl)naphthalen-1-amine

N-(3,3-diethoxypropyl)naphthalen-1-amine (PubChem CID 81094321) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)naphthalen-1-amine
PubChem CID81094321
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3,3-diethoxypropyl)naphthalen-1-amine
SMILESCCOC(CCNc1cccc2ccccc12)OCC
InChIInChI=1S/C17H23NO2/c1-3-19-17(20-4-2)12-13-18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12-13H2,1-2H3
InChIKeyLCOKDWFAQYIANS-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)-2-ethylaniline
CID 81094600
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-(3,3-diethoxypropyl)-4-methoxyquinolin-2-amine
CID 18353658
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702
N-(3,3-diethoxypropyl)-4-fluoro-2-methylaniline
CID 81095045
4-bromo-N-(3,3-diethoxypropyl)-2-methylaniline
CID 81093406

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)naphthalen-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)naphthalen-1-amine (CID 81094321) is N-(3,3-diethoxypropyl)naphthalen-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)naphthalen-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)naphthalen-1-amine is CCOC(CCNc1cccc2ccccc12)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)naphthalen-1-amine?
The InChIKey is LCOKDWFAQYIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-19-17(20-4-2)12-13-18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17-18H,3-4,12-13H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)naphthalen-1-amine?
N-(3,3-diethoxypropyl)naphthalen-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)naphthalen-1-amine is sourced from PubChem (CID 81094321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).