N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine

C18H29N — CID 43129204

IUPACN-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCNc1cccc2c1CCCC2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18/h10,12,14,19H,2-9,11,13,15H2,1H3
InChIKeyDDAVSYBHWXWELG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.34
Rot. Bonds8

About N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43129204) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43129204
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCCCCCNc1cccc2c1CCCC2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18/h10,12,14,19H,2-9,11,13,15H2,1H3
InChIKeyDDAVSYBHWXWELG-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octyl-5,6,7,8-tetrahydronaphthalen-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-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-pent-4-ynyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 115871884
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-butyl-3-(2,3-dihydro-1H-inden-4-yl)-2-methylaniline
CID 142524177
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114492544
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
N-octadecyl-9H-fluoren-4-amine
CID 150393762
3-chloro-2-methyl-N-octylaniline
CID 43129192

Frequently Asked Questions

What is the IUPAC name of N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43129204) is N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine is CCCCCCCCNc1cccc2c1CCCC2.
What is the InChIKey of N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is DDAVSYBHWXWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18/h10,12,14,19H,2-9,11,13,15H2,1H3.
What are the key properties of N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43129204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).