1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C17H21N3O — CID 106660945

IUPAC1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCOc1cnc(C)cc1NC1CCCc2cc(N)ccc21
InChIInChI=1S/C17H21N3O/c1-11-8-16(17(21-2)10-19-11)20-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-10,15H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyOJFLYEBNYPWLDY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.47
Rot. Bonds3

About 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 106660945) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID106660945
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCOc1cnc(C)cc1NC1CCCc2cc(N)ccc21
InChIInChI=1S/C17H21N3O/c1-11-8-16(17(21-2)10-19-11)20-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-10,15H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyOJFLYEBNYPWLDY-UHFFFAOYSA-N
XLogP3.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloropyrimidin-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650411
1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103412279
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770250
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
1-N-(5-methoxy-2-methyl-4-pyridinyl)cyclopentane-1,2-diamine
CID 106660824
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650350
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43102702
1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650402
1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79840923
1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 80752845

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 106660945) is 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is COc1cnc(C)cc1NC1CCCc2cc(N)ccc21.
What is the InChIKey of 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is OJFLYEBNYPWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-8-16(17(21-2)10-19-11)20-15-5-3-4-12-9-13(18)6-7-14(12)15/h6-10,15H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 106660945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).