1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

C16H19N3O — CID 79742052

IUPAC1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1cc(CNC2CCc3cc(N)ccc32)ccn1
InChIInChI=1S/C16H19N3O/c1-20-16-8-11(6-7-18-16)10-19-15-5-2-12-9-13(17)3-4-14(12)15/h3-4,6-9,15,19H,2,5,10,17H2,1H3
InChIKeyGNCKVGBPCNFHHF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.45
Rot. Bonds4

About 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79742052) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79742052
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1cc(CNC2CCc3cc(N)ccc32)ccn1
InChIInChI=1S/C16H19N3O/c1-20-16-8-11(6-7-18-16)10-19-15-5-2-12-9-13(17)3-4-14(12)15/h3-4,6-9,15,19H,2,5,10,17H2,1H3
InChIKeyGNCKVGBPCNFHHF-UHFFFAOYSA-N
XLogP2.45
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79742052) is 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is COc1cc(CNC2CCc3cc(N)ccc32)ccn1.
What is the InChIKey of 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is GNCKVGBPCNFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-16-8-11(6-7-18-16)10-19-15-5-2-12-9-13(17)3-4-14(12)15/h3-4,6-9,15,19H,2,5,10,17H2,1H3.
What are the key properties of 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79742052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).