6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

C20H27N3 — CID 70056976

IUPAC6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCCCc1cccnc1)C2
InChIInChI=1S/C20H27N3/c21-20-9-4-8-17-14-18(10-11-19(17)20)23-13-3-1-2-6-16-7-5-12-22-15-16/h4-5,7-9,12,15,18,23H,1-3,6,10-11,13-14,21H2
InChIKeyAGLQTGOOXHPHJU-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.52
Rot. Bonds7

About 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine

6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (PubChem CID 70056976) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
PubChem CID70056976
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCCCCc1cccnc1)C2
InChIInChI=1S/C20H27N3/c21-20-9-4-8-17-14-18(10-11-19(17)20)23-13-3-1-2-6-16-7-5-12-22-15-16/h4-5,7-9,12,15,18,23H,1-3,6,10-11,13-14,21H2
InChIKeyAGLQTGOOXHPHJU-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 70056363
N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773285
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
CID 95128968
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
6-N-ethyl-6-N-(4-pyridin-4-ylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 70057139
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine (CID 70056976) is 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is Nc1cccc2c1CCC(NCCCCCc1cccnc1)C2.
What is the InChIKey of 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The InChIKey is AGLQTGOOXHPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c21-20-9-4-8-17-14-18(10-11-19(17)20)23-13-3-1-2-6-16-7-5-12-22-15-16/h4-5,7-9,12,15,18,23H,1-3,6,10-11,13-14,21H2.
What are the key properties of 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine has a molecular weight of 309.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 70056976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).