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

C14H21N — CID 43079025

IUPACN-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCNc1cccc2c1CCCC2
InChIInChI=1S/C14H21N/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15H,2-5,7,9,11H2,1H3
InChIKeyCVKCKRJWWYQVMX-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.78
Rot. Bonds4

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

N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43079025) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43079025
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCCCNc1cccc2c1CCCC2
InChIInChI=1S/C14H21N/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15H,2-5,7,9,11H2,1H3
InChIKeyCVKCKRJWWYQVMX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-butyl-3-(2,3-dihydro-1H-inden-4-yl)-2-methylaniline
CID 142524177
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-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114492544
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564

Frequently Asked Questions

What is the IUPAC name of N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43079025) is N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine is CCCCNc1cccc2c1CCCC2.
What is the InChIKey of N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is CVKCKRJWWYQVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,15H,2-5,7,9,11H2,1H3.
What are the key properties of N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43079025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).