1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide

C15H21N5O — CID 66188671

IUPAC1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide
SMILESCC1(C)CCC(NCCN=[N+]=[N-])(C(N)=O)c2ccccc21
InChIInChI=1S/C15H21N5O/c1-14(2)7-8-15(13(16)21,18-9-10-19-20-17)12-6-4-3-5-11(12)14/h3-6,18H,7-10H2,1-2H3,(H2,16,21)
InChIKeyAHUCRUDJVFRSHU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide

1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide (PubChem CID 66188671) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide
PubChem CID66188671
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide
SMILESCC1(C)CCC(NCCN=[N+]=[N-])(C(N)=O)c2ccccc21
InChIInChI=1S/C15H21N5O/c1-14(2)7-8-15(13(16)21,18-9-10-19-20-17)12-6-4-3-5-11(12)14/h3-6,18H,7-10H2,1-2H3,(H2,16,21)
InChIKeyAHUCRUDJVFRSHU-UHFFFAOYSA-N
XLogP2.34
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide?
The IUPAC name of 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide (CID 66188671) is 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide.
What is the SMILES notation for 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide?
The canonical SMILES for 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide is CC1(C)CCC(NCCN=[N+]=[N-])(C(N)=O)c2ccccc21.
What is the InChIKey of 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide?
The InChIKey is AHUCRUDJVFRSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-14(2)7-8-15(13(16)21,18-9-10-19-20-17)12-6-4-3-5-11(12)14/h3-6,18H,7-10H2,1-2H3,(H2,16,21).
What are the key properties of 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide?
1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxamide is sourced from PubChem (CID 66188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).