N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

C20H26N2 — CID 165060976

IUPACN-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESCCCCCc1cc2c(c(Nc3ccccn3)c1)CCCC2
InChIInChI=1S/C20H26N2/c1-2-3-4-9-16-14-17-10-5-6-11-18(17)19(15-16)22-20-12-7-8-13-21-20/h7-8,12-15H,2-6,9-11H2,1H3,(H,21,22)
InChIKeyRERUACSRQJXKEU-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.44
Rot. Bonds6

About N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (PubChem CID 165060976) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
PubChem CID165060976
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESCCCCCc1cc2c(c(Nc3ccccn3)c1)CCCC2
InChIInChI=1S/C20H26N2/c1-2-3-4-9-16-14-17-10-5-6-11-18(17)19(15-16)22-20-12-7-8-13-21-20/h7-8,12-15H,2-6,9-11H2,1H3,(H,21,22)
InChIKeyRERUACSRQJXKEU-UHFFFAOYSA-N
XLogP5.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(pyridin-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-one
CID 165075954
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
N-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
CID 58064822
2-undecylpyridine
CID 66882765
N-tridecan-6-ylpyridin-2-amine
CID 170412016
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458
2-tetradecylpyridine;hydrochloride
CID 45489746
N-butylpyridin-2-amine
CID 14322668
dodecylbenzene;pyridine
CID 174718010
2-hexadecylpyridine;hydrate
CID 141211108

Frequently Asked Questions

What is the IUPAC name of N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The IUPAC name of N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (CID 165060976) is N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The canonical SMILES for N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is CCCCCc1cc2c(c(Nc3ccccn3)c1)CCCC2.
What is the InChIKey of N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The InChIKey is RERUACSRQJXKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-3-4-9-16-14-17-10-5-6-11-18(17)19(15-16)22-20-12-7-8-13-21-20/h7-8,12-15H,2-6,9-11H2,1H3,(H,21,22).
What are the key properties of N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine has a molecular weight of 294.44 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pentyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is sourced from PubChem (CID 165060976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).